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

C15H11N3O2S — CID 704429

IUPAC4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2nc(-c3ccccn3)cs2)cc1
InChIInChI=1S/C15H11N3O2S/c19-14(20)10-4-6-11(7-5-10)17-15-18-13(9-21-15)12-3-1-2-8-16-12/h1-9H,(H,17,18)(H,19,20)
InChIKeyAHSIVPPUDXPGPA-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.65
Rot. Bonds4

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

4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid (PubChem CID 704429) has the molecular formula C15H11N3O2S and a molecular weight of 297.34 g/mol. Its IUPAC name is 4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid
PubChem CID704429
Molecular FormulaC15H11N3O2S
Molecular Weight297.34 g/mol
Exact Mass297.06
IUPAC Name4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2nc(-c3ccccn3)cs2)cc1
InChIInChI=1S/C15H11N3O2S/c19-14(20)10-4-6-11(7-5-10)17-15-18-13(9-21-15)12-3-1-2-8-16-12/h1-9H,(H,17,18)(H,19,20)
InChIKeyAHSIVPPUDXPGPA-UHFFFAOYSA-N
XLogP3.65
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid
CID 877536
N-(4-fluorophenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine;hydrobromide
CID 91800824
N-(4-methoxyphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride
CID 126477222
N-(4-morpholin-4-ylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 122192398
N-(3,4-dimethylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 972690
2-[[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenyl]hydrazinylidene]propanedinitrile
CID 169339579
[3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenyl] N-phenylcarbamate
CID 110492702
4-benzyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4646220
4-[[4-(2,5-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 87078168
N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 110492822
4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 23889662
2-[[2-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxy]acetic acid
CID 86280870

Frequently Asked Questions

What is the IUPAC name of 4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid?
The IUPAC name of 4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid (CID 704429) is 4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid.
What is the SMILES notation for 4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid?
The canonical SMILES for 4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid is O=C(O)c1ccc(Nc2nc(-c3ccccn3)cs2)cc1.
What is the InChIKey of 4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid?
The InChIKey is AHSIVPPUDXPGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2S/c19-14(20)10-4-6-11(7-5-10)17-15-18-13(9-21-15)12-3-1-2-8-16-12/h1-9H,(H,17,18)(H,19,20).
What are the key properties of 4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid?
4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid has a molecular weight of 297.34 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid is sourced from PubChem (CID 704429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).