Free Chemical Databases
-
[Synonyms]
Oprea1_157336
STOCK3S-64787
NSC684993
AIDS149731
AIDS-149731
ZINC00174962
NCI60_030574
3-(2-(4-Methoxyphenyl)-1,3-thiazol-4-yl)-2H-chromen-2-one
[Structure]
[ Properties Computed from Structure]
Molecular Weight 335.37642 [g/mol] Molecular Formula C19H13NO3S XLogP 4 H-Bond Donor 0 H-Bond Acceptor 4 Rotatable Bond Count 3 Exact Mass 335.061614 MonoIsotopic Mass 335.061614 Topological Polar Surface Area 48.4 Heavy Atom Count 24 Formal Charge 0 Complexity 501 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]chromen-2-one
Canonical SMILES: COC1=CC=C(C=C1)C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O
InChI: InChI=1/C19H13NO3S/c1-22-14-8-6-12(7-9-14)18-20-16(11-24-18)15-10-13-4-
2-3-5-17(13)23-19(15)21/h2-11H,1H3
Other Chemicals
- PDAA ,Purpurate-3,3'-diacetic acid ,1(2H)-Pyrimidineacetic acid, 5-((1-(carboxymethyl)hexahydro-2,4,6-trio
- 101772-45-6,2-((5-(((5-(((3-Amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-meth
- 1-PAC ,2-Carboxyarabinitol 1-phosphate ,2-Carboxy-D-arabinitol 1-phosphate ,CHEBI:17541,2-C-[(phosphonooxy)met
- IUPAC Name: 3-[4-(phenoxy)phenyl]-1-phenylprop-2-en-1-one,Canonical SMILES: C1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)
- IUPAC Name: 2-(2,5-dimethoxyphenyl)-N-methylpropan-1-amine,Canonical SMILES: CC(CNC)C1=C(C=CC(=C1)OC)OC,InChI:
- 124508-37-8
- 52413-42-0
- 18885-59-1
- IUPAC Name: 2-[4-[3-(3,,3-dimethyl-1-phenyl-2-benzofuran-1-yl)propyl]piperazin-1-yl]ethanol,Canonical SMILES:
- IUPAC Name: N-[(2S,3S,4R)-3,4-dihydroxy-1-[(2R,3R,4R,5R,6R)-3,4,,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]octad
- IUPAC Name: sodium 2-[2-(dodecanoylamino)ethyl-(2-hydroxyethyl)amino]acetate,Canonical SMILES: CCCCCCCCCCCC(=O
- IUPAC Name: tridec-2-en-1-ol,Canonical SMILES: CCCCCCCCCCC=CCO,InChI: InChI=1/C13H26O/c1-2-3-4-5-6-7-8-9-10-11
- IUPAC Name: 3-bromo-2,6-dimethoxy-N-[(1S)-1-pyrrolidin-2-ylpropyl]benzamide,Canonical SMILES: CCC(C1CCCN1)NC(=
- G6600_ALDRICH,Methyl glycinate hydrochloride,Glycine methyl ester hydrochloride ,Glycine, methyl ester, hydroc
- Butestrol ,racemic-Butestrol,racemic-Butoestrol,D-Dma,L-Dma,DL-Dma,(+)-4,4'-(1,2-Dimethylethylene)diphenol
- Dinotefuran ,(E)-dinotefuran,Dinotefuran [ISO],MTI-446,CHEBI:39183,CHEBI:39184,HSDB 7465,NCGC00163772-01,LS-18
- N,N'-(Di-p-methoxyphenyl)urea,Oprea1_547168,MLS000532534,N,N'-Bis-(4-methoxyphenyl)urea,N,N'-bis(4
- 33581-07-6
- EINECS 264-864-2,1-Biphenylenol, dodecahydro-1,3,3,4a-tetramethyl-,3,5,5,7-Tetramethyltricyclo(6.4.0.02,7)dode
- Disilane, 1,2-dimethyl-,870-26-8,
- 2-Methyl-5-nitro-1H-imidazole-1-ethanol hydrogen sulfate (ester),1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, hy
- BRN 1652015,LS-60408,5H-Dibenz(b,f)azepine, 10,11-dihydro-5-((2-(dimethylamino)-1-methyl)ethyl)-,5H-Dibenz(b,f
- 1-t-Butyl-3-ethylbenzene,Benzene, 1-(1,1-dimethylethyl)-3-ethyl-,ST5407132,14411-56-4,
- 5-Methoxyfuran-2(5H)-one,2(5H)-Furanone, 5-methoxy-,2,5-Dihydro-5-methoxy-2-furanone,EINECS 233-933-9,10449-66
- Arsine, methylbis(trifluoromethyl)-,431-76-5,
- 51861-23-5
- Allyl 2H-perfluoropropyl ether,371939_ALDRICH,2H-Perfluoropropyl 2-propenyl ether,EINECS 261-635-9,Allyl 1,1,2
- CCRIS 3855,cis-2-(Bromomethyl)-3-chlorooxirane,(Z)-2-Chloro-3-(bromomethyl)oxirane,Oxirane, 2-(bromomethyl)-3-
- EINECS 219-822-8,(1)-2-Amino-3-(3,4-dimethoxyphenyl)-2-methylpropiononitrile,2543-46-6,