1-benzyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)triazole-4-carboxamide

C15H15N5OS — CID 18152907

IUPAC1-benzyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)triazole-4-carboxamide
SMILESCc1nc(NC(=O)c2cn(Cc3ccccc3)nn2)sc1C
InChIInChI=1S/C15H15N5OS/c1-10-11(2)22-15(16-10)17-14(21)13-9-20(19-18-13)8-12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H,16,17,21)
InChIKeyFAVQZHVYJXPHJK-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.65
Rot. Bonds4

About 1-benzyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)triazole-4-carboxamide

1-benzyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)triazole-4-carboxamide (PubChem CID 18152907) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 1-benzyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)triazole-4-carboxamide
PubChem CID18152907
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name1-benzyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)triazole-4-carboxamide
SMILESCc1nc(NC(=O)c2cn(Cc3ccccc3)nn2)sc1C
InChIInChI=1S/C15H15N5OS/c1-10-11(2)22-15(16-10)17-14(21)13-9-20(19-18-13)8-12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H,16,17,21)
InChIKeyFAVQZHVYJXPHJK-UHFFFAOYSA-N
XLogP2.65
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)triazole-4-carboxamide
CID 31031821
1-benzyl-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]triazole-4-carboxamide
CID 24620826
1-benzyl-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]triazole-4-carboxamide
CID 31859752
1-benzyl-N-(2,3-dimethylphenyl)triazole-4-carboxamide
CID 18146607
ethyl 2-[(1-benzyltriazole-4-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 55515823
2-(1-benzyltetrazol-5-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 653360
2-benzyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide
CID 36780097
1-benzyltriazole-4-carbonyl chloride
CID 87720228
N-(2-acetamidoethyl)-1-benzyltriazole-4-carboxamide
CID 35052567
1-benzyl-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide
CID 18152232
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 51205846
1-benzyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]triazole-4-carboxamide
CID 166215914

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)triazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)triazole-4-carboxamide (CID 18152907) is 1-benzyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)triazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)triazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)triazole-4-carboxamide is Cc1nc(NC(=O)c2cn(Cc3ccccc3)nn2)sc1C.
What is the InChIKey of 1-benzyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)triazole-4-carboxamide?
The InChIKey is FAVQZHVYJXPHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-10-11(2)22-15(16-10)17-14(21)13-9-20(19-18-13)8-12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H,16,17,21).
What are the key properties of 1-benzyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)triazole-4-carboxamide?
1-benzyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)triazole-4-carboxamide has a molecular weight of 313.39 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)triazole-4-carboxamide is sourced from PubChem (CID 18152907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).