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

C16H12N2O4S — CID 705545

IUPAC4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2nc(-c3ccc(O)cc3O)cs2)cc1
InChIInChI=1S/C16H12N2O4S/c19-11-5-6-12(14(20)7-11)13-8-23-16(18-13)17-10-3-1-9(2-4-10)15(21)22/h1-8,19-20H,(H,17,18)(H,21,22)
InChIKeyOEOHSCLSWPDYNN-UHFFFAOYSA-N
MW328.35 g/mol
LogP3.66
Rot. Bonds4

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

4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid (PubChem CID 705545) has the molecular formula C16H12N2O4S and a molecular weight of 328.35 g/mol. Its IUPAC name is 4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
PubChem CID705545
Molecular FormulaC16H12N2O4S
Molecular Weight328.35 g/mol
Exact Mass328.05
IUPAC Name4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2nc(-c3ccc(O)cc3O)cs2)cc1
InChIInChI=1S/C16H12N2O4S/c19-11-5-6-12(14(20)7-11)13-8-23-16(18-13)17-10-3-1-9(2-4-10)15(21)22/h1-8,19-20H,(H,17,18)(H,21,22)
InChIKeyOEOHSCLSWPDYNN-UHFFFAOYSA-N
XLogP3.66
TPSA102.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 53.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-{[4-(4-Fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid
CID 695906
4-{[4-(2-Methoxyphenyl)-1,3-thiazol-2-yl]amino}benzoic acid
CID 24776309
4-{[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid
CID 2212684
2-hydroxy-4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]benzoic Acid
CID 7328982
4-[(4-Phenyl-1,3-thiazol-2-yl)amino]benzoic acid
CID 877536
4-{[4-(2,4-Dihydroxyphenyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
CID 2175556
3-[2-(2-Methylanilino)-1,3-thiazol-4-yl]benzoic acid
CID 147535030
NF-|E| cent activator 1
CID 151901137
3-{[4-(2,4-Dihydroxyphenyl)-1,3-thiazol-2-yl]amino}benzoic acid
CID 705543
4-[[4-(2,4-Dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid
CID 2215046
4-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]benzoic Acid
CID 2384167
4-[(4-Phenyl-1,3-thiazol-2-yl)amino]benzoic acid hydrobromide
CID 2877404

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid?
The IUPAC name of 4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid (CID 705545) is 4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid.
What is the SMILES notation for 4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid?
The canonical SMILES for 4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid is O=C(O)c1ccc(Nc2nc(-c3ccc(O)cc3O)cs2)cc1.
What is the InChIKey of 4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid?
The InChIKey is OEOHSCLSWPDYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4S/c19-11-5-6-12(14(20)7-11)13-8-23-16(18-13)17-10-3-1-9(2-4-10)15(21)22/h1-8,19-20H,(H,17,18)(H,21,22).
What are the key properties of 4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid?
4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid has a molecular weight of 328.35 g/mol, XLogP of 3.66, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid is sourced from PubChem (CID 705545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).