1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)triazole-4-carboxamide

C16H15FN4O2S — CID 111451667

IUPAC1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)triazole-4-carboxamide
SMILESCC(O)(CNC(=O)c1cn(-c2ccc(F)cc2)nn1)c1ccsc1
InChIInChI=1S/C16H15FN4O2S/c1-16(23,11-6-7-24-9-11)10-18-15(22)14-8-21(20-19-14)13-4-2-12(17)3-5-13/h2-9,23H,10H2,1H3,(H,18,22)
InChIKeyUJPIJMFLSYBYQM-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.11
Rot. Bonds5

About 1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)triazole-4-carboxamide

1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)triazole-4-carboxamide (PubChem CID 111451667) has the molecular formula C16H15FN4O2S and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)triazole-4-carboxamide
PubChem CID111451667
Molecular FormulaC16H15FN4O2S
Molecular Weight346.39 g/mol
Exact Mass346.09
IUPAC Name1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)triazole-4-carboxamide
SMILESCC(O)(CNC(=O)c1cn(-c2ccc(F)cc2)nn1)c1ccsc1
InChIInChI=1S/C16H15FN4O2S/c1-16(23,11-6-7-24-9-11)10-18-15(22)14-8-21(20-19-14)13-4-2-12(17)3-5-13/h2-9,23H,10H2,1H3,(H,18,22)
InChIKeyUJPIJMFLSYBYQM-UHFFFAOYSA-N
XLogP2.11
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)triazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)triazole-4-carboxamide (CID 111451667) is 1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)triazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)triazole-4-carboxamide is CC(O)(CNC(=O)c1cn(-c2ccc(F)cc2)nn1)c1ccsc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)triazole-4-carboxamide?
The InChIKey is UJPIJMFLSYBYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2S/c1-16(23,11-6-7-24-9-11)10-18-15(22)14-8-21(20-19-14)13-4-2-12(17)3-5-13/h2-9,23H,10H2,1H3,(H,18,22).
What are the key properties of 1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)triazole-4-carboxamide?
1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)triazole-4-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)triazole-4-carboxamide is sourced from PubChem (CID 111451667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).