2-[4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]-N-(4-methylphenyl)acetamide

C22H19N3O3S — CID 1229232

IUPAC2-[4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]-N-(4-methylphenyl)acetamide
SMILESCC1=Nc2ccccc2C1=Cc1sc(=O)n(CC(=O)Nc2ccc(C)cc2)c1O
InChIInChI=1S/C22H19N3O3S/c1-13-7-9-15(10-8-13)24-20(26)12-25-21(27)19(29-22(25)28)11-17-14(2)23-18-6-4-3-5-16(17)18/h3-11,27H,12H2,1-2H3,(H,24,26)
InChIKeyBVRVCWLHUDUQGQ-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.21
Rot. Bonds4

About 2-[4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]-N-(4-methylphenyl)acetamide

2-[4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]-N-(4-methylphenyl)acetamide (PubChem CID 1229232) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is 2-[4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]-N-(4-methylphenyl)acetamide
PubChem CID1229232
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC Name2-[4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]-N-(4-methylphenyl)acetamide
SMILESCC1=Nc2ccccc2C1=Cc1sc(=O)n(CC(=O)Nc2ccc(C)cc2)c1O
InChIInChI=1S/C22H19N3O3S/c1-13-7-9-15(10-8-13)24-20(26)12-25-21(27)19(29-22(25)28)11-17-14(2)23-18-6-4-3-5-16(17)18/h3-11,27H,12H2,1-2H3,(H,24,26)
InChIKeyBVRVCWLHUDUQGQ-UHFFFAOYSA-N
XLogP4.21
TPSA83.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-[2-(4-nitrophenyl)-2-oxoethyl]-1,3-thiazol-2-one
CID 137068664
N-(3-chloro-4-methylphenyl)-2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]acetamide
CID 4168442
3-benzyl-4-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione
CID 135489918
N-(5-chloro-2-methylphenyl)-2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]acetamide
CID 137068640
N-(3,4-dimethylphenyl)-2-[5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]acetamide
CID 137076700
N-(4-ethoxyphenyl)-2-[5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]acetamide
CID 137076681
5-[(Z)-(2,5-dimethylindol-3-ylidene)methyl]-3-ethyl-4-hydroxy-1,3-thiazole-2-thione
CID 137268672
N-(2,4-difluorophenyl)-2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetamide
CID 135614510
5-[(2-methylindol-3-ylidene)methyl]-3-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-ol
CID 137152093
ethyl 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetate
CID 135440828

Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]-N-(4-methylphenyl)acetamide (CID 1229232) is 2-[4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]-N-(4-methylphenyl)acetamide is CC1=Nc2ccccc2C1=Cc1sc(=O)n(CC(=O)Nc2ccc(C)cc2)c1O.
What is the InChIKey of 2-[4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is BVRVCWLHUDUQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-13-7-9-15(10-8-13)24-20(26)12-25-21(27)19(29-22(25)28)11-17-14(2)23-18-6-4-3-5-16(17)18/h3-11,27H,12H2,1-2H3,(H,24,26).
What are the key properties of 2-[4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]-N-(4-methylphenyl)acetamide?
2-[4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 405.48 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 1229232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).