1-(4-fluorophenyl)-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide

C15H13FN4OS — CID 23610510

IUPAC1-(4-fluorophenyl)-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide
SMILESCC(NC(=O)c1cn(-c2ccc(F)cc2)nn1)c1cccs1
InChIInChI=1S/C15H13FN4OS/c1-10(14-3-2-8-22-14)17-15(21)13-9-20(19-18-13)12-6-4-11(16)5-7-12/h2-10H,1H3,(H,17,21)
InChIKeyCSVBTRLVIRNOJL-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.96
Rot. Bonds4

About 1-(4-fluorophenyl)-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide

1-(4-fluorophenyl)-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide (PubChem CID 23610510) has the molecular formula C15H13FN4OS and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide
PubChem CID23610510
Molecular FormulaC15H13FN4OS
Molecular Weight316.36 g/mol
Exact Mass316.08
IUPAC Name1-(4-fluorophenyl)-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide
SMILESCC(NC(=O)c1cn(-c2ccc(F)cc2)nn1)c1cccs1
InChIInChI=1S/C15H13FN4OS/c1-10(14-3-2-8-22-14)17-15(21)13-9-20(19-18-13)12-6-4-11(16)5-7-12/h2-10H,1H3,(H,17,21)
InChIKeyCSVBTRLVIRNOJL-UHFFFAOYSA-N
XLogP2.96
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide (CID 23610510) is 1-(4-fluorophenyl)-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide is CC(NC(=O)c1cn(-c2ccc(F)cc2)nn1)c1cccs1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide?
The InChIKey is CSVBTRLVIRNOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4OS/c1-10(14-3-2-8-22-14)17-15(21)13-9-20(19-18-13)12-6-4-11(16)5-7-12/h2-10H,1H3,(H,17,21).
What are the key properties of 1-(4-fluorophenyl)-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide?
1-(4-fluorophenyl)-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 23610510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).