4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-phenacyl-1,3-thiazol-2-one

C21H16N2O3S — CID 137117414

IUPAC4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-phenacyl-1,3-thiazol-2-one
SMILESCC1=Nc2ccccc2C1=Cc1sc(=O)n(CC(=O)c2ccccc2)c1O
InChIInChI=1S/C21H16N2O3S/c1-13-16(15-9-5-6-10-17(15)22-13)11-19-20(25)23(21(26)27-19)12-18(24)14-7-3-2-4-8-14/h2-11,25H,12H2,1H3
InChIKeyFFYNMULNEZBCQB-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.14
Rot. Bonds4

About 4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-phenacyl-1,3-thiazol-2-one

4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-phenacyl-1,3-thiazol-2-one (PubChem CID 137117414) has the molecular formula C21H16N2O3S and a molecular weight of 376.44 g/mol. Its IUPAC name is 4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-phenacyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-phenacyl-1,3-thiazol-2-one
PubChem CID137117414
Molecular FormulaC21H16N2O3S
Molecular Weight376.44 g/mol
Exact Mass376.09
IUPAC Name4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-phenacyl-1,3-thiazol-2-one
SMILESCC1=Nc2ccccc2C1=Cc1sc(=O)n(CC(=O)c2ccccc2)c1O
InChIInChI=1S/C21H16N2O3S/c1-13-16(15-9-5-6-10-17(15)22-13)11-19-20(25)23(21(26)27-19)12-18(24)14-7-3-2-4-8-14/h2-11,25H,12H2,1H3
InChIKeyFFYNMULNEZBCQB-UHFFFAOYSA-N
XLogP4.14
TPSA71.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-[2-(4-nitrophenyl)-2-oxoethyl]-1,3-thiazol-2-one
CID 137068664
2-[4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]-N-(4-methylphenyl)acetamide
CID 1229232
2-[4-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid
CID 135459114
N-(3-chlorophenyl)-2-[4-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]acetamide
CID 135642532
N-(2,4-difluorophenyl)-2-[4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]acetamide
CID 135717380
3-[4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-2-sulfanylidene-1,3-thiazol-3-yl]propanoic acid
CID 135648335
3-benzyl-4-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione
CID 135489918
5-[(2-methylindol-3-ylidene)methyl]-3-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-ol
CID 137152093
4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-(pyridin-3-ylmethyl)-1,3-thiazole-2-thione
CID 2355825
ethyl 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetate
CID 135440828
5-[(2-methylindol-3-ylidene)methyl]-3-phenyl-2-phenylimino-1,3-thiazol-4-ol
CID 1205499
3-methyl-5-[(Z)-(2-methylindol-3-ylidene)methyl]-2-(2-methylphenyl)imino-1,3-thiazol-4-ol
CID 135589576

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-phenacyl-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-phenacyl-1,3-thiazol-2-one (CID 137117414) is 4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-phenacyl-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-phenacyl-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-phenacyl-1,3-thiazol-2-one is CC1=Nc2ccccc2C1=Cc1sc(=O)n(CC(=O)c2ccccc2)c1O.
What is the InChIKey of 4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-phenacyl-1,3-thiazol-2-one?
The InChIKey is FFYNMULNEZBCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3S/c1-13-16(15-9-5-6-10-17(15)22-13)11-19-20(25)23(21(26)27-19)12-18(24)14-7-3-2-4-8-14/h2-11,25H,12H2,1H3.
What are the key properties of 4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-phenacyl-1,3-thiazol-2-one?
4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-phenacyl-1,3-thiazol-2-one has a molecular weight of 376.44 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-phenacyl-1,3-thiazol-2-one is sourced from PubChem (CID 137117414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).