5-amino-1-benzyl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide

C15H15N5OS — CID 7385917

IUPAC5-amino-1-benzyl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
SMILESNc1c(C(=O)NCc2cccs2)nnn1Cc1ccccc1
InChIInChI=1S/C15H15N5OS/c16-14-13(15(21)17-9-12-7-4-8-22-12)18-19-20(14)10-11-5-2-1-3-6-11/h1-8H,9-10,16H2,(H,17,21)
InChIKeyWUPIHWOFQWMKSU-UHFFFAOYSA-N
MW313.39 g/mol
LogP1.90
Rot. Bonds5

About 5-amino-1-benzyl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide

5-amino-1-benzyl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide (PubChem CID 7385917) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 5-amino-1-benzyl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-benzyl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
PubChem CID7385917
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name5-amino-1-benzyl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
SMILESNc1c(C(=O)NCc2cccs2)nnn1Cc1ccccc1
InChIInChI=1S/C15H15N5OS/c16-14-13(15(21)17-9-12-7-4-8-22-12)18-19-20(14)10-11-5-2-1-3-6-11/h1-8H,9-10,16H2,(H,17,21)
InChIKeyWUPIHWOFQWMKSU-UHFFFAOYSA-N
XLogP1.90
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-1-benzyl-N-[(2-chlorophenyl)methyl]triazole-4-carboxamide
CID 7385903
5-amino-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
CID 11957258
5-amino-1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
CID 6498277
5-amino-N-benzyl-1-[(2-methylphenyl)methyl]triazole-4-carboxamide
CID 20862522
1-(5-amino-1-benzyltriazol-4-yl)ethanone
CID 130018260
5-amino-1-(2-anilino-2-oxoethyl)-N-benzyltriazole-4-carboxamide
CID 6619515
5-amino-N-benzyl-1-methyltriazole-4-carboxamide
CID 1499694
5-amino-N-benzyl-1-[2-(2,6-dimethylanilino)-2-oxoethyl]triazole-4-carboxamide
CID 20853713
1-benzyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
CID 9360117
5-amino-N-benzyl-1-phenyltriazole-4-carboxamide
CID 17015753
5-amino-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615369
2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 34646506

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-benzyl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide?
The IUPAC name of 5-amino-1-benzyl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide (CID 7385917) is 5-amino-1-benzyl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-benzyl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for 5-amino-1-benzyl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide is Nc1c(C(=O)NCc2cccs2)nnn1Cc1ccccc1.
What is the InChIKey of 5-amino-1-benzyl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide?
The InChIKey is WUPIHWOFQWMKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c16-14-13(15(21)17-9-12-7-4-8-22-12)18-19-20(14)10-11-5-2-1-3-6-11/h1-8H,9-10,16H2,(H,17,21).
What are the key properties of 5-amino-1-benzyl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide?
5-amino-1-benzyl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide has a molecular weight of 313.39 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-benzyl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 7385917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).