2-(2,5-dimethylphenyl)-1,3-thiazole-4-carboxamide

C12H12N2OS — CID 116891955

IUPAC2-(2,5-dimethylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(C)c(-c2nc(C(N)=O)cs2)c1
InChIInChI=1S/C12H12N2OS/c1-7-3-4-8(2)9(5-7)12-14-10(6-16-12)11(13)15/h3-6H,1-2H3,(H2,13,15)
InChIKeyUDJYXGDQVDBICM-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.53
Rot. Bonds2

About 2-(2,5-dimethylphenyl)-1,3-thiazole-4-carboxamide

2-(2,5-dimethylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 116891955) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID116891955
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name2-(2,5-dimethylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(C)c(-c2nc(C(N)=O)cs2)c1
InChIInChI=1S/C12H12N2OS/c1-7-3-4-8(2)9(5-7)12-14-10(6-16-12)11(13)15/h3-6H,1-2H3,(H2,13,15)
InChIKeyUDJYXGDQVDBICM-UHFFFAOYSA-N
XLogP2.53
TPSA55.98 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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 116891994
2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazole
CID 116891864
[2-(2,5-dimethylphenyl)-1,3-thiazol-4-yl] acetate
CID 174677755
2-[5-(4-carbamoyl-1,3-thiazol-2-yl)-N-(carboxymethyl)-2-methylanilino]acetic acid
CID 58135286
2-(5-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 116891997
2-(2,5-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 116891977
2-(5-ethynyl-2-methylphenyl)-1,3-thiazole-4-carboxamide;3-hydroxy-1-methylpyrrolidin-2-one
CID 145143428
N-(3-carbamoylphenyl)-2-(2,4-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 86867681
2-(2-bromophenyl)-1,3-thiazole-4-carboxamide
CID 116892022
N-[(2R)-4-amino-4-oxobutan-2-yl]-2-(2,4-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 95778148
2-(2-methyl-1,3-benzoxazol-5-yl)-1,3-thiazole-4-carboxamide
CID 116892007
2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 2794795

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,5-dimethylphenyl)-1,3-thiazole-4-carboxamide (CID 116891955) is 2-(2,5-dimethylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1,3-thiazole-4-carboxamide is Cc1ccc(C)c(-c2nc(C(N)=O)cs2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is UDJYXGDQVDBICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-7-3-4-8(2)9(5-7)12-14-10(6-16-12)11(13)15/h3-6H,1-2H3,(H2,13,15).
What are the key properties of 2-(2,5-dimethylphenyl)-1,3-thiazole-4-carboxamide?
2-(2,5-dimethylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 232.31 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 116891955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).