4-methyl-2-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carboxamide

C14H16N2OS — CID 116887740

IUPAC4-methyl-2-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(N)=O)s2)c(C)c1C
InChIInChI=1S/C14H16N2OS/c1-7-5-6-11(9(3)8(7)2)14-16-10(4)12(18-14)13(15)17/h5-6H,1-4H3,(H2,15,17)
InChIKeyCMWGIYIPKOKBED-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.14
Rot. Bonds2

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

4-methyl-2-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 116887740) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 4-methyl-2-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID116887740
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name4-methyl-2-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(N)=O)s2)c(C)c1C
InChIInChI=1S/C14H16N2OS/c1-7-5-6-11(9(3)8(7)2)14-16-10(4)12(18-14)13(15)17/h5-6H,1-4H3,(H2,15,17)
InChIKeyCMWGIYIPKOKBED-UHFFFAOYSA-N
XLogP3.14
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 116887743
4-methyl-2-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carbaldehyde
CID 116885687
2-(1-benzofuran-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 116887739
2-(4-methoxy-2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 95481168
5-(chloromethyl)-4-methyl-2-(2,3,4-trimethylphenyl)-1,3-thiazole
CID 116885359
4-methyl-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116887735
5-bromo-2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-amine
CID 116864382
2,4-dimethyl-1,3-thiazole-5-carboxamide;hydrochloride
CID 69278427
2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 47183801
4-methyl-2-(2-methylphenyl)-1,3-thiazole-5-carbohydrazide
CID 82425590
4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
CID 12813043
2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62308714

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carboxamide (CID 116887740) is 4-methyl-2-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carboxamide is Cc1ccc(-c2nc(C)c(C(N)=O)s2)c(C)c1C.
What is the InChIKey of 4-methyl-2-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is CMWGIYIPKOKBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-7-5-6-11(9(3)8(7)2)14-16-10(4)12(18-14)13(15)17/h5-6H,1-4H3,(H2,15,17).
What are the key properties of 4-methyl-2-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carboxamide?
4-methyl-2-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 260.36 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116887740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).