2-hydroxy-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid

C17H14N2O3S — CID 695875

IUPAC2-hydroxy-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
SMILESCc1ccc(-c2csc(Nc3ccc(C(=O)O)c(O)c3)n2)cc1
InChIInChI=1S/C17H14N2O3S/c1-10-2-4-11(5-3-10)14-9-23-17(19-14)18-12-6-7-13(16(21)22)15(20)8-12/h2-9,20H,1H3,(H,18,19)(H,21,22)
InChIKeyLUDOKVXJRNPWFH-UHFFFAOYSA-N
MW326.38 g/mol
LogP4.27
Rot. Bonds4

About 2-hydroxy-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid

2-hydroxy-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid (PubChem CID 695875) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is 2-hydroxy-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
PubChem CID695875
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC Name2-hydroxy-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
SMILESCc1ccc(-c2csc(Nc3ccc(C(=O)O)c(O)c3)n2)cc1
InChIInChI=1S/C17H14N2O3S/c1-10-2-4-11(5-3-10)14-9-23-17(19-14)18-12-6-7-13(16(21)22)15(20)8-12/h2-9,20H,1H3,(H,18,19)(H,21,22)
InChIKeyLUDOKVXJRNPWFH-UHFFFAOYSA-N
XLogP4.27
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid
CID 1092447
4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid
CID 2215046
2-hydroxy-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]benzoic acid
CID 972612
5-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid
CID 695909
5-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid
CID 695891
4-[2-(4-methylanilino)-1,3-thiazol-4-yl]benzene-1,2-diol
CID 962878
N-(4-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2255838
4-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 1075886
5-[2-(4-benzylanilino)-1,3-thiazol-4-yl]-2-hydroxybenzoic acid
CID 11516941
N-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2840281
4-[[4-[4-(4-methylpyrazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzene-1,2-diol
CID 59429793
N-(3,4-dimethylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 3721108

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid?
The IUPAC name of 2-hydroxy-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid (CID 695875) is 2-hydroxy-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid.
What is the SMILES notation for 2-hydroxy-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid?
The canonical SMILES for 2-hydroxy-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid is Cc1ccc(-c2csc(Nc3ccc(C(=O)O)c(O)c3)n2)cc1.
What is the InChIKey of 2-hydroxy-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid?
The InChIKey is LUDOKVXJRNPWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S/c1-10-2-4-11(5-3-10)14-9-23-17(19-14)18-12-6-7-13(16(21)22)15(20)8-12/h2-9,20H,1H3,(H,18,19)(H,21,22).
What are the key properties of 2-hydroxy-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid?
2-hydroxy-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid has a molecular weight of 326.38 g/mol, XLogP of 4.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid is sourced from PubChem (CID 695875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).