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

C17H14N2O3S — CID 768039

IUPAC4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
SMILESCOc1ccc(-c2csc(Nc3ccc(C(=O)O)cc3)n2)cc1
InChIInChI=1S/C17H14N2O3S/c1-22-14-8-4-11(5-9-14)15-10-23-17(19-15)18-13-6-2-12(3-7-13)16(20)21/h2-10H,1H3,(H,18,19)(H,20,21)
InChIKeyCUIAGSJVJLOHAN-UHFFFAOYSA-N
MW326.38 g/mol
LogP4.26
Rot. Bonds5

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

4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid (PubChem CID 768039) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
PubChem CID768039
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC Name4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
SMILESCOc1ccc(-c2csc(Nc3ccc(C(=O)O)cc3)n2)cc1
InChIInChI=1S/C17H14N2O3S/c1-22-14-8-4-11(5-9-14)15-10-23-17(19-15)18-13-6-2-12(3-7-13)16(20)21/h2-10H,1H3,(H,18,19)(H,20,21)
InChIKeyCUIAGSJVJLOHAN-UHFFFAOYSA-N
XLogP4.26
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-{[4-(4-Fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid
CID 695906
4-Methoxy-N-(4-phenyl-2-thiazolyl)benzamide
CID 668712
Aminothiazole, 3
CID 22496365
4-{[4-(2-Methoxyphenyl)-1,3-thiazol-2-yl]amino}benzoic acid
CID 24776309
4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 698943
2-{2-[(2-Methoxyphenyl)amino]-4-phenyl-1,3-thiazol-5-yl}acetic acid
CID 4095384
4-[(4-Phenyl-1,3-thiazol-2-yl)amino]benzoic acid
CID 877536
1-(4-(4-Methoxyphenyl)thiazol-2-yl)-3-phenylurea
CID 930415
(2-Anilino-4-methyl-1,3-thiazol-5-yl)-(4-methoxyphenyl)methanone
CID 2814831
4-(4-methoxyphenyl)-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 4521790
4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 852133
Methyl 3-[4-(4-methoxyphenyl)-2-(phenylamino)-1,3-thiazol-5-yl]propanoate
CID 1861424

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid?
The IUPAC name of 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid (CID 768039) is 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid.
What is the SMILES notation for 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid?
The canonical SMILES for 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid is COc1ccc(-c2csc(Nc3ccc(C(=O)O)cc3)n2)cc1.
What is the InChIKey of 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid?
The InChIKey is CUIAGSJVJLOHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S/c1-22-14-8-4-11(5-9-14)15-10-23-17(19-15)18-13-6-2-12(3-7-13)16(20)21/h2-10H,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid?
4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid has a molecular weight of 326.38 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid is sourced from PubChem (CID 768039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).