N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide

C12H12N2OS — CID 3792843

IUPACN-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1csc(-c2ccc(C)cc2)n1
InChIInChI=1S/C12H12N2OS/c1-8-3-5-9(6-4-8)12-14-10(7-16-12)11(15)13-2/h3-7H,1-2H3,(H,13,15)
InChIKeyYCPAGPICVBZPSO-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.48
Rot. Bonds2

About N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide

N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 3792843) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID3792843
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC NameN-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1csc(-c2ccc(C)cc2)n1
InChIInChI=1S/C12H12N2OS/c1-8-3-5-9(6-4-8)12-14-10(7-16-12)11(15)13-2/h3-7H,1-2H3,(H,13,15)
InChIKeyYCPAGPICVBZPSO-UHFFFAOYSA-N
XLogP2.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylthiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzamide
CID 73504380
N-ethyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 2591198
2-Phenyl-1,3-thiazole-4-carbohydrazide
CID 2740635
1-(2-Phenyl-1,3-thiazol-4-yl)ethan-1-one
CID 604819
2-(4-p-Tolyl-thiazol-2-yl)-acetamide
CID 1079159
N-(cyanomethyl)-4-methyl-2-(2-phenyl-1,3-thiazol-4-yl)pentanamide
CID 11034349
2-[3-(Trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide
CID 1478836
N-[(4-methylphenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2532745
3,3-dimethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 7152314
N-[[4-(2-thiophen-2-yl-1,3-thiazol-4-yl)phenyl]methyl]acetamide
CID 9344082
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 3244200
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 155754719

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide (CID 3792843) is N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide is CNC(=O)c1csc(-c2ccc(C)cc2)n1.
What is the InChIKey of N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is YCPAGPICVBZPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-8-3-5-9(6-4-8)12-14-10(7-16-12)11(15)13-2/h3-7H,1-2H3,(H,13,15).
What are the key properties of N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 232.31 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3792843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).