1-(3,4-dimethylphenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide

C15H15N5OS — CID 9151795

IUPAC1-(3,4-dimethylphenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide
SMILESCc1ccc(-n2nnc(C(=O)Nc3nccs3)c2C)cc1C
InChIInChI=1S/C15H15N5OS/c1-9-4-5-12(8-10(9)2)20-11(3)13(18-19-20)14(21)17-15-16-6-7-22-15/h4-8H,1-3H3,(H,16,17,21)
InChIKeyWJYWCGDETMOZIB-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.90
Rot. Bonds3

About 1-(3,4-dimethylphenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide

1-(3,4-dimethylphenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide (PubChem CID 9151795) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide
PubChem CID9151795
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name1-(3,4-dimethylphenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide
SMILESCc1ccc(-n2nnc(C(=O)Nc3nccs3)c2C)cc1C
InChIInChI=1S/C15H15N5OS/c1-9-4-5-12(8-10(9)2)20-11(3)13(18-19-20)14(21)17-15-16-6-7-22-15/h4-8H,1-3H3,(H,16,17,21)
InChIKeyWJYWCGDETMOZIB-UHFFFAOYSA-N
XLogP2.90
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dimethylphenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)triazole-4-carboxamide
CID 16648808
N-cycloheptyl-1-(3,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 46858317
N-(3,4-dimethylphenyl)-1-(3-fluoro-4-methylphenyl)-5-methyltriazole-4-carboxamide
CID 7246289
1-(3,4-dimethylphenyl)-5-methyl-N-(1-phenylethyl)triazole-4-carboxamide
CID 46858342
1-(3,4-dimethylphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 2144863
1-(3,4-dimethylphenyl)-N-[(4-ethylphenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46858321
1-phenyl-5-propyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide
CID 17015603
N-[(4-chlorophenyl)methyl]-1-(3,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 46858337
3,4-dimethyl-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 9321514
1-(3-chloro-4-fluorophenyl)-5-methyl-N-(1,3,4-thiadiazol-2-yl)triazole-4-carboxamide
CID 71878033
1-(3-chloro-4-methylphenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide
CID 7184921
1-(3,4-dimethylphenyl)-5-methyl-N-[4-methyl-5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl]triazole-4-carboxamide
CID 43837240

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide?
The IUPAC name of 1-(3,4-dimethylphenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide (CID 9151795) is 1-(3,4-dimethylphenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide?
The canonical SMILES for 1-(3,4-dimethylphenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide is Cc1ccc(-n2nnc(C(=O)Nc3nccs3)c2C)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide?
The InChIKey is WJYWCGDETMOZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-9-4-5-12(8-10(9)2)20-11(3)13(18-19-20)14(21)17-15-16-6-7-22-15/h4-8H,1-3H3,(H,16,17,21).
What are the key properties of 1-(3,4-dimethylphenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide?
1-(3,4-dimethylphenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide has a molecular weight of 313.39 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide is sourced from PubChem (CID 9151795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).