4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

C11H10N2OS — CID 737887

IUPAC4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(N)=O
InChIInChI=1S/C11H10N2OS/c1-7-9(10(12)14)15-11(13-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,12,14)
InChIKeyHGWKKGLUWKNUOF-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.22
Rot. Bonds2

About 4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 737887) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is 4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID737887
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC Name4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(N)=O
InChIInChI=1S/C11H10N2OS/c1-7-9(10(12)14)15-11(13-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,12,14)
InChIKeyHGWKKGLUWKNUOF-UHFFFAOYSA-N
XLogP2.22
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-phenyl-1,3-thiazole-5-carboxamide 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 4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (CID 737887) is 4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2)sc1C(N)=O.
What is the InChIKey of 4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is HGWKKGLUWKNUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS/c1-7-9(10(12)14)15-11(13-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,12,14).
What are the key properties of 4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
4-methyl-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 218.28 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 737887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).