N-(2,5-dimethylphenyl)-1,3-thiazole-2-carboxamide

C12H12N2OS — CID 110695993

IUPACN-(2,5-dimethylphenyl)-1,3-thiazole-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2nccs2)c1
InChIInChI=1S/C12H12N2OS/c1-8-3-4-9(2)10(7-8)14-11(15)12-13-5-6-16-12/h3-7H,1-2H3,(H,14,15)
InChIKeyRQZKHRPQMMGIPK-UHFFFAOYSA-N
MW232.31 g/mol
LogP3.01
Rot. Bonds2

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

N-(2,5-dimethylphenyl)-1,3-thiazole-2-carboxamide (PubChem CID 110695993) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-1,3-thiazole-2-carboxamide
PubChem CID110695993
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC NameN-(2,5-dimethylphenyl)-1,3-thiazole-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2nccs2)c1
InChIInChI=1S/C12H12N2OS/c1-8-3-4-9(2)10(7-8)14-11(15)12-13-5-6-16-12/h3-7H,1-2H3,(H,14,15)
InChIKeyRQZKHRPQMMGIPK-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-hydroxyphenyl)-1,3-thiazole-2-carboxamide
CID 110467924
N-(2,5-dimethylphenyl)thiophene-2-carboxamide;ethane
CID 143815290
N-(2,5-dimethylphenyl)pyrazine-2-carboxamide
CID 803312
N-(5-methylthiophen-2-yl)-1,3-thiazole-2-carboxamide
CID 146277087
N-(2,5-dimethylphenyl)-3-fluoropyridine-2-carboxamide
CID 110474800
N-(2,5-dimethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110857329
N-(2,5-dimethylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide
CID 110857331
2,4-dimethyl-N-(1,3-thiazol-2-yl)benzamide
CID 953286
N-(2,5-dimethylphenyl)-5-methyl-1H-imidazole-4-carboxamide
CID 110683959
N-[(2,5-dimethylphenyl)carbamoyl]thiophene-2-carboxamide
CID 110866335
N-(2,5-dimethylphenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104639933
6-amino-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 62155556

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-1,3-thiazole-2-carboxamide (CID 110695993) is N-(2,5-dimethylphenyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-1,3-thiazole-2-carboxamide is Cc1ccc(C)c(NC(=O)c2nccs2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-1,3-thiazole-2-carboxamide?
The InChIKey is RQZKHRPQMMGIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-8-3-4-9(2)10(7-8)14-11(15)12-13-5-6-16-12/h3-7H,1-2H3,(H,14,15).
What are the key properties of N-(2,5-dimethylphenyl)-1,3-thiazole-2-carboxamide?
N-(2,5-dimethylphenyl)-1,3-thiazole-2-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 N-(2,5-dimethylphenyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 110695993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).