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

C16H15FN4O2S — CID 111441794

IUPAC1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)triazole-4-carboxamide
SMILESCC(O)(CNC(=O)c1cn(-c2ccc(F)cc2)nn1)c1cccs1
InChIInChI=1S/C16H15FN4O2S/c1-16(23,14-3-2-8-24-14)10-18-15(22)13-9-21(20-19-13)12-6-4-11(17)5-7-12/h2-9,23H,10H2,1H3,(H,18,22)
InChIKeyGSYFADGGDUAXQX-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.11
Rot. Bonds5

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

1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)triazole-4-carboxamide (PubChem CID 111441794) 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-2-ylpropyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)triazole-4-carboxamide
PubChem CID111441794
Molecular FormulaC16H15FN4O2S
Molecular Weight346.39 g/mol
Exact Mass346.09
IUPAC Name1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)triazole-4-carboxamide
SMILESCC(O)(CNC(=O)c1cn(-c2ccc(F)cc2)nn1)c1cccs1
InChIInChI=1S/C16H15FN4O2S/c1-16(23,14-3-2-8-24-14)10-18-15(22)13-9-21(20-19-13)12-6-4-11(17)5-7-12/h2-9,23H,10H2,1H3,(H,18,22)
InChIKeyGSYFADGGDUAXQX-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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Related Compounds

N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-1-methyltriazole-4-carboxamide
CID 99983177
1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)triazole-4-carboxamide
CID 111480696
N-(2-amino-2-methylpropyl)-1-phenyltriazole-4-carboxamide;hydrochloride
CID 119627298
N-(2-hydroxy-2-thiophen-2-ylpropyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 71985094
5-fluoro-2-hydroxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
CID 111860656
2,6-difluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide
CID 95983276
N'-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide
CID 90499889
N-(2,3-dihydroxy-2-methylpropyl)-1-phenyltriazole-4-carboxamide
CID 66169267
1-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]triazole-4-carboxamide
CID 53332740
N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 38957071
1-(4-fluorophenyl)-N-[(2R)-2-thiophen-3-ylpropyl]triazole-4-carboxamide
CID 95907391
2,3-difluoro-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
CID 111441795

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)triazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)triazole-4-carboxamide (CID 111441794) is 1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)triazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)triazole-4-carboxamide is CC(O)(CNC(=O)c1cn(-c2ccc(F)cc2)nn1)c1cccs1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)triazole-4-carboxamide?
The InChIKey is GSYFADGGDUAXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2S/c1-16(23,14-3-2-8-24-14)10-18-15(22)13-9-21(20-19-13)12-6-4-11(17)5-7-12/h2-9,23H,10H2,1H3,(H,18,22).
What are the key properties of 1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)triazole-4-carboxamide?
1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-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-2-ylpropyl)triazole-4-carboxamide is sourced from PubChem (CID 111441794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).