4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid

C18H15N3O4S — CID 1092447

IUPAC4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid
SMILESCC(=O)Nc1ccc(-c2csc(Nc3ccc(C(=O)O)c(O)c3)n2)cc1
InChIInChI=1S/C18H15N3O4S/c1-10(22)19-12-4-2-11(3-5-12)15-9-26-18(21-15)20-13-6-7-14(17(24)25)16(23)8-13/h2-9,23H,1H3,(H,19,22)(H,20,21)(H,24,25)
InChIKeyLIAJYAVQSHCRSC-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.92
Rot. Bonds5

About 4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid

4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid (PubChem CID 1092447) has the molecular formula C18H15N3O4S and a molecular weight of 369.40 g/mol. Its IUPAC name is 4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid
PubChem CID1092447
Molecular FormulaC18H15N3O4S
Molecular Weight369.40 g/mol
Exact Mass369.08
IUPAC Name4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid
SMILESCC(=O)Nc1ccc(-c2csc(Nc3ccc(C(=O)O)c(O)c3)n2)cc1
InChIInChI=1S/C18H15N3O4S/c1-10(22)19-12-4-2-11(3-5-12)15-9-26-18(21-15)20-13-6-7-14(17(24)25)16(23)8-13/h2-9,23H,1H3,(H,19,22)(H,20,21)(H,24,25)
InChIKeyLIAJYAVQSHCRSC-UHFFFAOYSA-N
XLogP3.92
TPSA111.55 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 695875
2-hydroxy-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]benzoic acid
CID 972612
4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid
CID 2215046
N-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 84564808
N-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 4820967
N-[4-[2-(4-hydroxy-2-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 972851
N-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84564814
5-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid
CID 695909
N-[3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565354
N-[4-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 695901
N-[4-[2-(2-propan-2-ylidenehydrazinyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 4540074
2-chloro-N-[4-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 42764618

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid?
The IUPAC name of 4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid (CID 1092447) is 4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid is CC(=O)Nc1ccc(-c2csc(Nc3ccc(C(=O)O)c(O)c3)n2)cc1.
What is the InChIKey of 4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid?
The InChIKey is LIAJYAVQSHCRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4S/c1-10(22)19-12-4-2-11(3-5-12)15-9-26-18(21-15)20-13-6-7-14(17(24)25)16(23)8-13/h2-9,23H,1H3,(H,19,22)(H,20,21)(H,24,25).
What are the key properties of 4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid?
4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid has a molecular weight of 369.40 g/mol, XLogP of 3.92, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 1092447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).