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

C14H10N2O3S2 — CID 972612

IUPAC2-hydroxy-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2nc(-c3cccs3)cs2)cc1O
InChIInChI=1S/C14H10N2O3S2/c17-11-6-8(3-4-9(11)13(18)19)15-14-16-10(7-21-14)12-2-1-5-20-12/h1-7,17H,(H,15,16)(H,18,19)
InChIKeyXELJZBKGWKBZBK-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.02
Rot. Bonds4

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

2-hydroxy-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]benzoic acid (PubChem CID 972612) has the molecular formula C14H10N2O3S2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-hydroxy-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]benzoic acid
PubChem CID972612
Molecular FormulaC14H10N2O3S2
Molecular Weight318.38 g/mol
Exact Mass318.01
IUPAC Name2-hydroxy-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2nc(-c3cccs3)cs2)cc1O
InChIInChI=1S/C14H10N2O3S2/c17-11-6-8(3-4-9(11)13(18)19)15-14-16-10(7-21-14)12-2-1-5-20-12/h1-7,17H,(H,15,16)(H,18,19)
InChIKeyXELJZBKGWKBZBK-UHFFFAOYSA-N
XLogP4.02
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-carboxy-5-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenolate
CID 54702756
2-hydroxy-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 695875
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
3-methyl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenol
CID 2215270
5-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid
CID 695891
5-[2-(4-benzylanilino)-1,3-thiazol-4-yl]-2-hydroxybenzoic acid
CID 11516941
N-pyrimidin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrobromide
CID 5344926
N-(4,6-dimethylpyrimidin-2-yl)-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide
CID 3128431
5-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid
CID 695909
2,5-dichloro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 4200224
2,2,3,3-tetramethyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 23944638

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]benzoic acid?
The IUPAC name of 2-hydroxy-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]benzoic acid (CID 972612) is 2-hydroxy-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]benzoic acid.
What is the SMILES notation for 2-hydroxy-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]benzoic acid?
The canonical SMILES for 2-hydroxy-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]benzoic acid is O=C(O)c1ccc(Nc2nc(-c3cccs3)cs2)cc1O.
What is the InChIKey of 2-hydroxy-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]benzoic acid?
The InChIKey is XELJZBKGWKBZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3S2/c17-11-6-8(3-4-9(11)13(18)19)15-14-16-10(7-21-14)12-2-1-5-20-12/h1-7,17H,(H,15,16)(H,18,19).
What are the key properties of 2-hydroxy-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]benzoic acid?
2-hydroxy-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]benzoic acid has a molecular weight of 318.38 g/mol, XLogP of 4.02, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]benzoic acid is sourced from PubChem (CID 972612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).