2-(2,4-dimethylphenyl)-4-methyl-N-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide

C15H15N5OS — CID 51098584

IUPAC2-(2,4-dimethylphenyl)-4-methyl-N-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(=O)Nc3ncn[nH]3)s2)c(C)c1
InChIInChI=1S/C15H15N5OS/c1-8-4-5-11(9(2)6-8)14-18-10(3)12(22-14)13(21)19-15-16-7-17-20-15/h4-7H,1-3H3,(H2,16,17,19,20,21)
InChIKeyDDGZEVUSGXPETD-UHFFFAOYSA-N
MW313.39 g/mol
LogP3.11
Rot. Bonds3

About 2-(2,4-dimethylphenyl)-4-methyl-N-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide

2-(2,4-dimethylphenyl)-4-methyl-N-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide (PubChem CID 51098584) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-4-methyl-N-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-4-methyl-N-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide
PubChem CID51098584
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name2-(2,4-dimethylphenyl)-4-methyl-N-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(=O)Nc3ncn[nH]3)s2)c(C)c1
InChIInChI=1S/C15H15N5OS/c1-8-4-5-11(9(2)6-8)14-18-10(3)12(22-14)13(21)19-15-16-7-17-20-15/h4-7H,1-3H3,(H2,16,17,19,20,21)
InChIKeyDDGZEVUSGXPETD-UHFFFAOYSA-N
XLogP3.11
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dimethylphenyl)-4-methyl-N-(1H-pyrazol-5-ylmethyl)-1,3-thiazole-5-carboxamide
CID 51098576
3-methyl-N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide
CID 4318610
2-(2,4-dimethylphenyl)-N-(4-hydroxy-2-methylpentyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 111447016
2-(2,4-dimethylphenyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 52791222
N-[(3R)-3-cyanothiolan-3-yl]-2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 95263458
2-(2,4-dimethylphenyl)-N-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 56565007
2,4-diphenyl-N-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide
CID 30864538
2-methyl-N-(1H-1,2,4-triazol-5-yl)-1,3-benzothiazole-6-carboxamide
CID 126195886
1-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide
CID 47085113
methyl 3-[[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]-2-methylpropanoate
CID 86867474
2-(2,4-dimethylphenyl)-4-methyl-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide
CID 75418308
2-(2,4-dimethylphenyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 49065917

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-4-methyl-N-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2,4-dimethylphenyl)-4-methyl-N-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide (CID 51098584) is 2-(2,4-dimethylphenyl)-4-methyl-N-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-4-methyl-N-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-4-methyl-N-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide is Cc1ccc(-c2nc(C)c(C(=O)Nc3ncn[nH]3)s2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-4-methyl-N-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is DDGZEVUSGXPETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-8-4-5-11(9(2)6-8)14-18-10(3)12(22-14)13(21)19-15-16-7-17-20-15/h4-7H,1-3H3,(H2,16,17,19,20,21).
What are the key properties of 2-(2,4-dimethylphenyl)-4-methyl-N-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide?
2-(2,4-dimethylphenyl)-4-methyl-N-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 313.39 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-4-methyl-N-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 51098584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).