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

C15H11N3O2S — CID 115527389

IUPAC2-(2-methylpyrimidin-4-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid
SMILESCc1nccc(-c2nc(C(=O)O)c(-c3ccccc3)s2)n1
InChIInChI=1S/C15H11N3O2S/c1-9-16-8-7-11(17-9)14-18-12(15(19)20)13(21-14)10-5-3-2-4-6-10/h2-8H,1H3,(H,19,20)
InChIKeyQDFGITNUSQHRSY-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.27
Rot. Bonds3

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

2-(2-methylpyrimidin-4-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid (PubChem CID 115527389) has the molecular formula C15H11N3O2S and a molecular weight of 297.34 g/mol. Its IUPAC name is 2-(2-methylpyrimidin-4-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylpyrimidin-4-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid
PubChem CID115527389
Molecular FormulaC15H11N3O2S
Molecular Weight297.34 g/mol
Exact Mass297.06
IUPAC Name2-(2-methylpyrimidin-4-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid
SMILESCc1nccc(-c2nc(C(=O)O)c(-c3ccccc3)s2)n1
InChIInChI=1S/C15H11N3O2S/c1-9-16-8-7-11(17-9)14-18-12(15(19)20)13(21-14)10-5-3-2-4-6-10/h2-8H,1H3,(H,19,20)
InChIKeyQDFGITNUSQHRSY-UHFFFAOYSA-N
XLogP3.27
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-methylpyrimidin-4-yl)-5-phenyl-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-(2-methylpyrimidin-4-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(2-methylpyrimidin-4-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid (CID 115527389) is 2-(2-methylpyrimidin-4-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-methylpyrimidin-4-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(2-methylpyrimidin-4-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid is Cc1nccc(-c2nc(C(=O)O)c(-c3ccccc3)s2)n1.
What is the InChIKey of 2-(2-methylpyrimidin-4-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is QDFGITNUSQHRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2S/c1-9-16-8-7-11(17-9)14-18-12(15(19)20)13(21-14)10-5-3-2-4-6-10/h2-8H,1H3,(H,19,20).
What are the key properties of 2-(2-methylpyrimidin-4-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid?
2-(2-methylpyrimidin-4-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 297.34 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrimidin-4-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 115527389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).