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

C16H11NO2S — CID 79567342

IUPAC4-(4-phenylphenyl)-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc(-c3ccccc3)cc2)cs1
InChIInChI=1S/C16H11NO2S/c18-16(19)15-17-14(10-20-15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H,18,19)
InChIKeyALXGZNOPFIWJMH-UHFFFAOYSA-N
MW281.34 g/mol
LogP4.18
Rot. Bonds3

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

4-(4-phenylphenyl)-1,3-thiazole-2-carboxylic acid (PubChem CID 79567342) has the molecular formula C16H11NO2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 4-(4-phenylphenyl)-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-phenylphenyl)-1,3-thiazole-2-carboxylic acid
PubChem CID79567342
Molecular FormulaC16H11NO2S
Molecular Weight281.34 g/mol
Exact Mass281.05
IUPAC Name4-(4-phenylphenyl)-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc(-c3ccccc3)cc2)cs1
InChIInChI=1S/C16H11NO2S/c18-16(19)15-17-14(10-20-15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H,18,19)
InChIKeyALXGZNOPFIWJMH-UHFFFAOYSA-N
XLogP4.18
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-carboxyphenyl)-1,3-thiazole-2-carboxylic acid
CID 18548742
potassium 4-phenyl-1,3-thiazole-2-carboxylate
CID 59635440
4-[4-(propan-2-ylsulfonylmethyl)phenyl]-1,3-thiazole-2-carboxylic acid
CID 83967214
4-(3-chloro-4-fluorophenyl)-1,3-thiazole-2-carboxylic acid
CID 79566531
N,N-dimethyl-4-phenyl-1,3-thiazole-2-carbothioamide
CID 71367194
4-[4-[[2-(4-tert-butylphenyl)benzoyl]amino]phenyl]-1,3-thiazole-2-carboxylic acid
CID 59820177
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazole-2-carboxylic acid
CID 79566785
1-phenyl-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea
CID 4274968
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
1-[4-(4-iodophenyl)-1,3-thiazol-2-yl]ethanone
CID 104623092
2-methyl-3-[methyl-(4-phenyl-1,3-thiazole-2-carbonyl)amino]propanoic acid
CID 122111573
4-(4-phenyl-1,3-thiazol-2-yl)benzene-1,2-diol
CID 169215045

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylphenyl)-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-(4-phenylphenyl)-1,3-thiazole-2-carboxylic acid (CID 79567342) is 4-(4-phenylphenyl)-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-(4-phenylphenyl)-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-(4-phenylphenyl)-1,3-thiazole-2-carboxylic acid is O=C(O)c1nc(-c2ccc(-c3ccccc3)cc2)cs1.
What is the InChIKey of 4-(4-phenylphenyl)-1,3-thiazole-2-carboxylic acid?
The InChIKey is ALXGZNOPFIWJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO2S/c18-16(19)15-17-14(10-20-15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H,18,19).
What are the key properties of 4-(4-phenylphenyl)-1,3-thiazole-2-carboxylic acid?
4-(4-phenylphenyl)-1,3-thiazole-2-carboxylic acid has a molecular weight of 281.34 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylphenyl)-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 79567342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).