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

C16H10ClNO2S — CID 64715180

IUPAC2-(2-chlorophenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccccc2Cl)sc1-c1ccccc1
InChIInChI=1S/C16H10ClNO2S/c17-12-9-5-4-8-11(12)15-18-13(16(19)20)14(21-15)10-6-2-1-3-7-10/h1-9H,(H,19,20)
InChIKeyFCPQNFACUMJUEP-UHFFFAOYSA-N
MW315.78 g/mol
LogP4.83
Rot. Bonds3

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

2-(2-chlorophenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid (PubChem CID 64715180) has the molecular formula C16H10ClNO2S and a molecular weight of 315.78 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid
PubChem CID64715180
Molecular FormulaC16H10ClNO2S
Molecular Weight315.78 g/mol
Exact Mass315.01
IUPAC Name2-(2-chlorophenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccccc2Cl)sc1-c1ccccc1
InChIInChI=1S/C16H10ClNO2S/c17-12-9-5-4-8-11(12)15-18-13(16(19)20)14(21-15)10-6-2-1-3-7-10/h1-9H,(H,19,20)
InChIKeyFCPQNFACUMJUEP-UHFFFAOYSA-N
XLogP4.83
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.78
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(2-chlorophenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid (CID 64715180) is 2-(2-chlorophenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-chlorophenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(2-chlorophenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid is O=C(O)c1nc(-c2ccccc2Cl)sc1-c1ccccc1.
What is the InChIKey of 2-(2-chlorophenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is FCPQNFACUMJUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO2S/c17-12-9-5-4-8-11(12)15-18-13(16(19)20)14(21-15)10-6-2-1-3-7-10/h1-9H,(H,19,20).
What are the key properties of 2-(2-chlorophenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid?
2-(2-chlorophenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 315.78 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 64715180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).