2-(1,3-diphenylpyrazol-4-yl)-1,3-thiazole-4-carboxylic acid

C19H13N3O2S — CID 15166198

IUPAC2-(1,3-diphenylpyrazol-4-yl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2cn(-c3ccccc3)nc2-c2ccccc2)n1
InChIInChI=1S/C19H13N3O2S/c23-19(24)16-12-25-18(20-16)15-11-22(14-9-5-2-6-10-14)21-17(15)13-7-3-1-4-8-13/h1-12H,(H,23,24)
InChIKeySDBWZXKJWLUAOB-UHFFFAOYSA-N
MW347.40 g/mol
LogP4.36
Rot. Bonds4

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

2-(1,3-diphenylpyrazol-4-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 15166198) has the molecular formula C19H13N3O2S and a molecular weight of 347.40 g/mol. Its IUPAC name is 2-(1,3-diphenylpyrazol-4-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(1,3-diphenylpyrazol-4-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID15166198
Molecular FormulaC19H13N3O2S
Molecular Weight347.40 g/mol
Exact Mass347.07
IUPAC Name2-(1,3-diphenylpyrazol-4-yl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2cn(-c3ccccc3)nc2-c2ccccc2)n1
InChIInChI=1S/C19H13N3O2S/c23-19(24)16-12-25-18(20-16)15-11-22(14-9-5-2-6-10-14)21-17(15)13-7-3-1-4-8-13/h1-12H,(H,23,24)
InChIKeySDBWZXKJWLUAOB-UHFFFAOYSA-N
XLogP4.36
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1,3-diphenylpyrazol-4-yl)-1,3-thiazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diphenylpyrazol-4-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(1,3-diphenylpyrazol-4-yl)-1,3-thiazole-4-carboxylic acid (CID 15166198) is 2-(1,3-diphenylpyrazol-4-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(1,3-diphenylpyrazol-4-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(1,3-diphenylpyrazol-4-yl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-c2cn(-c3ccccc3)nc2-c2ccccc2)n1.
What is the InChIKey of 2-(1,3-diphenylpyrazol-4-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is SDBWZXKJWLUAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2S/c23-19(24)16-12-25-18(20-16)15-11-22(14-9-5-2-6-10-14)21-17(15)13-7-3-1-4-8-13/h1-12H,(H,23,24).
What are the key properties of 2-(1,3-diphenylpyrazol-4-yl)-1,3-thiazole-4-carboxylic acid?
2-(1,3-diphenylpyrazol-4-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 347.40 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diphenylpyrazol-4-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 15166198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).