2-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide

C13H14N2OS — CID 110852278

IUPAC2-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)NCCc2ccccc2)s1
InChIInChI=1S/C13H14N2OS/c1-10-15-9-12(17-10)13(16)14-8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,16)
InChIKeyMGKFQTNYRGCADH-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.42
Rot. Bonds4

About 2-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide

2-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 110852278) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 2-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
PubChem CID110852278
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name2-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)NCCc2ccccc2)s1
InChIInChI=1S/C13H14N2OS/c1-10-15-9-12(17-10)13(16)14-8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,16)
InChIKeyMGKFQTNYRGCADH-UHFFFAOYSA-N
XLogP2.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-(2-phenylethyl)-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

Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 110853376
N-[(1R)-1,2-diphenylethyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 52529905
2-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 114031328
4-ethyl-2-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 155970335
2-(2-phenylethylamino)-1,3-thiazole-5-carbohydrazide
CID 156507445
N-[3-[4-[2-fluoro-3-(trifluoromethyl)phenyl]phenyl]propyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 138674676
4,5-dibromo-N-(2-phenylethyl)thiophene-2-carboxamide
CID 19205118
1,3-dimethyl-N-(2-phenylethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 51309233
2-acetyl-N-[2-(3,5-dimethylphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 167856524
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(3-phenylpropyl)urea
CID 86841626
2-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 90881118
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide (CID 110852278) is 2-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)NCCc2ccccc2)s1.
What is the InChIKey of 2-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is MGKFQTNYRGCADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-10-15-9-12(17-10)13(16)14-8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,16).
What are the key properties of 2-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide?
2-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 246.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110852278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).