1-(4-fluorophenyl)-N-[(2R)-2-thiophen-3-ylpropyl]triazole-4-carboxamide

C16H15FN4OS — CID 95907391

IUPAC1-(4-fluorophenyl)-N-[(2R)-2-thiophen-3-ylpropyl]triazole-4-carboxamide
SMILESC[C@@H](CNC(=O)c1cn(-c2ccc(F)cc2)nn1)c1ccsc1
InChIInChI=1S/C16H15FN4OS/c1-11(12-6-7-23-10-12)8-18-16(22)15-9-21(20-19-15)14-4-2-13(17)3-5-14/h2-7,9-11H,8H2,1H3,(H,18,22)/t11-/m0/s1
InChIKeyMPEOWWGSSXAWDT-NSHDSACASA-N
MW330.39 g/mol
LogP3.00
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[(2R)-2-thiophen-3-ylpropyl]triazole-4-carboxamide

1-(4-fluorophenyl)-N-[(2R)-2-thiophen-3-ylpropyl]triazole-4-carboxamide (PubChem CID 95907391) has the molecular formula C16H15FN4OS and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(2R)-2-thiophen-3-ylpropyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(2R)-2-thiophen-3-ylpropyl]triazole-4-carboxamide
PubChem CID95907391
Molecular FormulaC16H15FN4OS
Molecular Weight330.39 g/mol
Exact Mass330.10
IUPAC Name1-(4-fluorophenyl)-N-[(2R)-2-thiophen-3-ylpropyl]triazole-4-carboxamide
SMILESC[C@@H](CNC(=O)c1cn(-c2ccc(F)cc2)nn1)c1ccsc1
InChIInChI=1S/C16H15FN4OS/c1-11(12-6-7-23-10-12)8-18-16(22)15-9-21(20-19-15)14-4-2-13(17)3-5-14/h2-7,9-11H,8H2,1H3,(H,18,22)/t11-/m0/s1
InChIKeyMPEOWWGSSXAWDT-NSHDSACASA-N
XLogP3.00
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]triazole-4-carboxamide
CID 110922720
1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)triazole-4-carboxamide
CID 111480696
N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 38957071
1-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]triazole-4-carboxamide
CID 53332740
1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)triazole-4-carboxamide
CID 111441794
1-(4-propan-2-ylphenyl)triazole-4-carbohydrazide
CID 112708395
1-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 17015530
1-(4-ethylphenyl)-N-[(4-propan-2-ylphenyl)methyl]triazole-4-carboxamide
CID 53332727
N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-3-carboxamide
CID 110279490
2-[[ethylamino-(2-thiophen-3-ylpropylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 111704391
1-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]triazole-4-carboxamide
CID 53332726
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 46593202

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(2R)-2-thiophen-3-ylpropyl]triazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(2R)-2-thiophen-3-ylpropyl]triazole-4-carboxamide (CID 95907391) is 1-(4-fluorophenyl)-N-[(2R)-2-thiophen-3-ylpropyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(2R)-2-thiophen-3-ylpropyl]triazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(2R)-2-thiophen-3-ylpropyl]triazole-4-carboxamide is C[C@@H](CNC(=O)c1cn(-c2ccc(F)cc2)nn1)c1ccsc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(2R)-2-thiophen-3-ylpropyl]triazole-4-carboxamide?
The InChIKey is MPEOWWGSSXAWDT-NSHDSACASA-N. The full InChI is InChI=1S/C16H15FN4OS/c1-11(12-6-7-23-10-12)8-18-16(22)15-9-21(20-19-15)14-4-2-13(17)3-5-14/h2-7,9-11H,8H2,1H3,(H,18,22)/t11-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(2R)-2-thiophen-3-ylpropyl]triazole-4-carboxamide?
1-(4-fluorophenyl)-N-[(2R)-2-thiophen-3-ylpropyl]triazole-4-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(2R)-2-thiophen-3-ylpropyl]triazole-4-carboxamide is sourced from PubChem (CID 95907391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).