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

C12H12N2OS — CID 110856576

IUPAC2-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccccc2C)s1
InChIInChI=1S/C12H12N2OS/c1-8-5-3-4-6-10(8)14-12(15)11-7-13-9(2)16-11/h3-7H,1-2H3,(H,14,15)
InChIKeyVFJFTVZLGCGHPA-UHFFFAOYSA-N
MW232.31 g/mol
LogP3.01
Rot. Bonds2

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

2-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 110856576) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 2-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID110856576
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name2-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccccc2C)s1
InChIInChI=1S/C12H12N2OS/c1-8-5-3-4-6-10(8)14-12(15)11-7-13-9(2)16-11/h3-7H,1-2H3,(H,14,15)
InChIKeyVFJFTVZLGCGHPA-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanophenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110864602
N-[2-(ethylaminomethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 103805568
N-[2-(azepan-1-yl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 71881060
2,5-dimethyl-N-(2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 110465519
N-(2-methylphenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide
CID 61282011
N-(2-bromo-5-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 103753515
N-(2-methylphenyl)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide
CID 53483863
4-chloro-3-[(2-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 114030925
4-bromo-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 114030937
N-(3-bromophenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110862859
N-(2,5-dimethylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 46484824
N-(2-amino-5-methoxyphenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 103805177

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide (CID 110856576) is 2-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)Nc2ccccc2C)s1.
What is the InChIKey of 2-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is VFJFTVZLGCGHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-8-5-3-4-6-10(8)14-12(15)11-7-13-9(2)16-11/h3-7H,1-2H3,(H,14,15).
What are the key properties of 2-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide?
2-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 232.31 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110856576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).