4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzoic acid

C17H13NO2S — CID 60729785

IUPAC4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzoic acid
SMILESCc1sc(-c2ccc(C(=O)O)cc2)nc1-c1ccccc1
InChIInChI=1S/C17H13NO2S/c1-11-15(12-5-3-2-4-6-12)18-16(21-11)13-7-9-14(10-8-13)17(19)20/h2-10H,1H3,(H,19,20)
InChIKeyASPYFAJZIQOSKV-UHFFFAOYSA-N
MW295.36 g/mol
LogP4.48
Rot. Bonds3

About 4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzoic acid

4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzoic acid (PubChem CID 60729785) has the molecular formula C17H13NO2S and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzoic acid.

Molecular Properties

Compound Name4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzoic acid
PubChem CID60729785
Molecular FormulaC17H13NO2S
Molecular Weight295.36 g/mol
Exact Mass295.07
IUPAC Name4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzoic acid
SMILESCc1sc(-c2ccc(C(=O)O)cc2)nc1-c1ccccc1
InChIInChI=1S/C17H13NO2S/c1-11-15(12-5-3-2-4-6-12)18-16(21-11)13-7-9-14(10-8-13)17(19)20/h2-10H,1H3,(H,19,20)
InChIKeyASPYFAJZIQOSKV-UHFFFAOYSA-N
XLogP4.48
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-Diphenyl-1,3-thiazol-5-yl)acetic acid
CID 2763923
4-Methyl-2-phenyl-thiazole-5-carboxylic acid
CID 720957
4-Methyl-2-(4-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 2763625
2-(2-Benzhydryl-4-phenylthiazol-5-yl)acetic acid
CID 46230226
5-Thiazoleacetic acid, 2-methyl-4-phenyl-
CID 214800
4-(2-Methyl-1,3-thiazol-4-yl)benzoic acid
CID 654980
4-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]benzenecarboxylic acid
CID 1473793
Methyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzenecarboxylate
CID 1474031
4-(4-phenyl-1,3-thiazol-2-yl)benzoic Acid
CID 1483684
4-(4-(3-(Trifluoromethyl)phenyl)-2-thiazolyl)benzoic acid
CID 1483724
4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzoic Acid
CID 3806854
4-(4-Hydroxy-5-methyl-thiazol-2-yl)-benzoic acid ethyl ester
CID 15691767

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzoic acid?
The IUPAC name of 4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzoic acid (CID 60729785) is 4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzoic acid.
What is the SMILES notation for 4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzoic acid?
The canonical SMILES for 4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzoic acid is Cc1sc(-c2ccc(C(=O)O)cc2)nc1-c1ccccc1.
What is the InChIKey of 4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzoic acid?
The InChIKey is ASPYFAJZIQOSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2S/c1-11-15(12-5-3-2-4-6-12)18-16(21-11)13-7-9-14(10-8-13)17(19)20/h2-10H,1H3,(H,19,20).
What are the key properties of 4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzoic acid?
4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzoic acid has a molecular weight of 295.36 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzoic acid is sourced from PubChem (CID 60729785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).