2-methyl-4-(4-phenylphenyl)-1,3-thiazole-5-carboxylic acid

C17H13NO2S — CID 95495373

IUPAC2-methyl-4-(4-phenylphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2ccc(-c3ccccc3)cc2)c(C(=O)O)s1
InChIInChI=1S/C17H13NO2S/c1-11-18-15(16(21-11)17(19)20)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10H,1H3,(H,19,20)
InChIKeyRQUWEKLZWQBGSC-UHFFFAOYSA-N
MW295.36 g/mol
LogP4.48
Rot. Bonds3

About 2-methyl-4-(4-phenylphenyl)-1,3-thiazole-5-carboxylic acid

2-methyl-4-(4-phenylphenyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 95495373) has the molecular formula C17H13NO2S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-methyl-4-(4-phenylphenyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-(4-phenylphenyl)-1,3-thiazole-5-carboxylic acid
PubChem CID95495373
Molecular FormulaC17H13NO2S
Molecular Weight295.36 g/mol
Exact Mass295.07
IUPAC Name2-methyl-4-(4-phenylphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2ccc(-c3ccccc3)cc2)c(C(=O)O)s1
InChIInChI=1S/C17H13NO2S/c1-11-18-15(16(21-11)17(19)20)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10H,1H3,(H,19,20)
InChIKeyRQUWEKLZWQBGSC-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-methyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 90854958
1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)ethanone
CID 59263615
4-(3-aminophenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 82226719
4-(3-bromophenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 82226681
(2-methyl-4-phenyl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone
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2-methyl-N'-(4-methylbenzoyl)-4-phenyl-1,3-thiazole-5-carbohydrazide
CID 9086784
4-(2,6-dimethylphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 131867670
ethane;2-methyl-4-[(4-phenylphenyl)methyl]-1,3-thiazole-5-carboxylic acid
CID 143933503
2-iodo-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 58016057
2-[methyl-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 119358383
2-(4-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 136889078
4-(4-bromophenyl)-2-phenyl-1,3-thiazole-5-carboxylic acid
CID 131954927

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-phenylphenyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-methyl-4-(4-phenylphenyl)-1,3-thiazole-5-carboxylic acid (CID 95495373) is 2-methyl-4-(4-phenylphenyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-methyl-4-(4-phenylphenyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-methyl-4-(4-phenylphenyl)-1,3-thiazole-5-carboxylic acid is Cc1nc(-c2ccc(-c3ccccc3)cc2)c(C(=O)O)s1.
What is the InChIKey of 2-methyl-4-(4-phenylphenyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is RQUWEKLZWQBGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2S/c1-11-18-15(16(21-11)17(19)20)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10H,1H3,(H,19,20).
What are the key properties of 2-methyl-4-(4-phenylphenyl)-1,3-thiazole-5-carboxylic acid?
2-methyl-4-(4-phenylphenyl)-1,3-thiazole-5-carboxylic 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 2-methyl-4-(4-phenylphenyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 95495373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).