3-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-4-methylbenzoic acid

C19H13N3O4S — CID 4761848

IUPAC3-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1Nc1nc(O)c(C2=c3ccccc3=NC2=O)s1
InChIInChI=1S/C19H13N3O4S/c1-9-6-7-10(18(25)26)8-13(9)21-19-22-17(24)15(27-19)14-11-4-2-3-5-12(11)20-16(14)23/h2-8,24H,1H3,(H,21,22)(H,25,26)
InChIKeyIUBAQDZXWIKNJR-UHFFFAOYSA-N
MW379.40 g/mol
LogP1.96
Rot. Bonds4

About 3-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-4-methylbenzoic acid

3-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-4-methylbenzoic acid (PubChem CID 4761848) has the molecular formula C19H13N3O4S and a molecular weight of 379.40 g/mol. Its IUPAC name is 3-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-4-methylbenzoic acid.

Molecular Properties

Compound Name3-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-4-methylbenzoic acid
PubChem CID4761848
Molecular FormulaC19H13N3O4S
Molecular Weight379.40 g/mol
Exact Mass379.06
IUPAC Name3-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1Nc1nc(O)c(C2=c3ccccc3=NC2=O)s1
InChIInChI=1S/C19H13N3O4S/c1-9-6-7-10(18(25)26)8-13(9)21-19-22-17(24)15(27-19)14-11-4-2-3-5-12(11)20-16(14)23/h2-8,24H,1H3,(H,21,22)(H,25,26)
InChIKeyIUBAQDZXWIKNJR-UHFFFAOYSA-N
XLogP1.96
TPSA111.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(2,5-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]-5-fluoroindol-2-one
CID 135834903
3-[2-(3-chloro-4-methylanilino)-4-hydroxy-1,3-thiazol-5-yl]-5-methylindol-2-one
CID 1228580
5-[[5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-yl]amino]benzene-1,3-dicarboxylic acid
CID 135834627
4-(2-oxoindol-3-yl)benzoic acid
CID 175545285
3-[4-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1,3-thiazol-5-yl]indol-2-one
CID 135424873
3-[2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-4-hydroxy-1,3-thiazol-5-yl]-5-methoxyindol-2-one
CID 155515174
ethyl 2-[[5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 155520999
4-methyl-3-(pyridin-3-ylamino)benzoic acid
CID 82536002
4-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]benzoic acid
CID 2384167
2-(2,5-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 1132750
3-[4-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1,3-thiazol-5-yl]-5-methylindol-2-one
CID 135505662
3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4-hydroxy-1,3-thiazol-5-yl]indol-2-one
CID 4761853

Frequently Asked Questions

What is the IUPAC name of 3-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-4-methylbenzoic acid?
The IUPAC name of 3-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-4-methylbenzoic acid (CID 4761848) is 3-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-4-methylbenzoic acid.
What is the SMILES notation for 3-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-4-methylbenzoic acid?
The canonical SMILES for 3-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-4-methylbenzoic acid is Cc1ccc(C(=O)O)cc1Nc1nc(O)c(C2=c3ccccc3=NC2=O)s1.
What is the InChIKey of 3-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-4-methylbenzoic acid?
The InChIKey is IUBAQDZXWIKNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O4S/c1-9-6-7-10(18(25)26)8-13(9)21-19-22-17(24)15(27-19)14-11-4-2-3-5-12(11)20-16(14)23/h2-8,24H,1H3,(H,21,22)(H,25,26).
What are the key properties of 3-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-4-methylbenzoic acid?
3-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-4-methylbenzoic acid has a molecular weight of 379.40 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-4-methylbenzoic acid is sourced from PubChem (CID 4761848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).