4-(4-bromophenyl)-2-phenyl-1,3-thiazole-5-carboxylic acid

C16H10BrNO2S — CID 131954927

IUPAC4-(4-bromophenyl)-2-phenyl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(-c2ccccc2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C16H10BrNO2S/c17-12-8-6-10(7-9-12)13-14(16(19)20)21-15(18-13)11-4-2-1-3-5-11/h1-9H,(H,19,20)
InChIKeyWWEFQJCKZCFBJE-UHFFFAOYSA-N
MW360.23 g/mol
LogP4.94
Rot. Bonds3

About 4-(4-bromophenyl)-2-phenyl-1,3-thiazole-5-carboxylic acid

4-(4-bromophenyl)-2-phenyl-1,3-thiazole-5-carboxylic acid (PubChem CID 131954927) has the molecular formula C16H10BrNO2S and a molecular weight of 360.23 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-phenyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-phenyl-1,3-thiazole-5-carboxylic acid
PubChem CID131954927
Molecular FormulaC16H10BrNO2S
Molecular Weight360.23 g/mol
Exact Mass358.96
IUPAC Name4-(4-bromophenyl)-2-phenyl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(-c2ccccc2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C16H10BrNO2S/c17-12-8-6-10(7-9-12)13-14(16(19)20)21-15(18-13)11-4-2-1-3-5-11/h1-9H,(H,19,20)
InChIKeyWWEFQJCKZCFBJE-UHFFFAOYSA-N
XLogP4.94
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.23
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 136889078
4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid
CID 73012806
2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 47120010
2-(4-bromo-5-chlorothiophen-2-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 102842182
4-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 131954936
2-methyl-4-(4-phenylphenyl)-1,3-thiazole-5-carboxylic acid
CID 95495373
2-iodo-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 58016057
2-(4-bromophenyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114359955
4-(3-bromophenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 82226681
2-(4-methylphenyl)-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227040
2,4-bis(3,4,5-trichlorophenyl)-1,3-thiazole-5-carboxylic acid
CID 134617786
2,4-diphenyl-N-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 9083928

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-phenyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(4-bromophenyl)-2-phenyl-1,3-thiazole-5-carboxylic acid (CID 131954927) is 4-(4-bromophenyl)-2-phenyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(4-bromophenyl)-2-phenyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(4-bromophenyl)-2-phenyl-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(-c2ccccc2)nc1-c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-2-phenyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is WWEFQJCKZCFBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrNO2S/c17-12-8-6-10(7-9-12)13-14(16(19)20)21-15(18-13)11-4-2-1-3-5-11/h1-9H,(H,19,20).
What are the key properties of 4-(4-bromophenyl)-2-phenyl-1,3-thiazole-5-carboxylic acid?
4-(4-bromophenyl)-2-phenyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 360.23 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-phenyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 131954927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).