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

C16H12N2O2S — CID 877536

IUPAC4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C16H12N2O2S/c19-15(20)12-6-8-13(9-7-12)17-16-18-14(10-21-16)11-4-2-1-3-5-11/h1-10H,(H,17,18)(H,19,20)
InChIKeyUGLHSEDBIJMFOC-UHFFFAOYSA-N
MW296.35 g/mol
LogP4.25
Rot. Bonds4

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

4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid (PubChem CID 877536) has the molecular formula C16H12N2O2S and a molecular weight of 296.35 g/mol. Its IUPAC name is 4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid
PubChem CID877536
Molecular FormulaC16H12N2O2S
Molecular Weight296.35 g/mol
Exact Mass296.06
IUPAC Name4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C16H12N2O2S/c19-15(20)12-6-8-13(9-7-12)17-16-18-14(10-21-16)11-4-2-1-3-5-11/h1-10H,(H,17,18)(H,19,20)
InChIKeyUGLHSEDBIJMFOC-UHFFFAOYSA-N
XLogP4.25
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 23889662
3-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid;hydrobromide
CID 146051372
4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid
CID 704429
4-[[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 10150294
4-[[4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzoic acid
CID 58911122
N-(4-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2255838
N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 110492822
4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzoate
CID 3513785
4-(2-hydrazinyl-1,3-thiazol-4-yl)benzoic acid
CID 7174481
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzamide
CID 46880290
4-[[4-(2,5-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 87078168
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]propanamide;hydrochloride
CID 42914899

Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid?
The IUPAC name of 4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid (CID 877536) is 4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid.
What is the SMILES notation for 4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid?
The canonical SMILES for 4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid is O=C(O)c1ccc(Nc2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of 4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid?
The InChIKey is UGLHSEDBIJMFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2S/c19-15(20)12-6-8-13(9-7-12)17-16-18-14(10-21-16)11-4-2-1-3-5-11/h1-10H,(H,17,18)(H,19,20).
What are the key properties of 4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid?
4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid has a molecular weight of 296.35 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid is sourced from PubChem (CID 877536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).