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

C14H12FN5OS — CID 6498277

IUPAC5-amino-1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
SMILESNc1c(C(=O)NCc2cccs2)nnn1-c1ccc(F)cc1
InChIInChI=1S/C14H12FN5OS/c15-9-3-5-10(6-4-9)20-13(16)12(18-19-20)14(21)17-8-11-2-1-7-22-11/h1-7H,8,16H2,(H,17,21)
InChIKeyGXMWXXRVYIVQQE-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.98
Rot. Bonds4

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

5-amino-1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide (PubChem CID 6498277) has the molecular formula C14H12FN5OS and a molecular weight of 317.35 g/mol. Its IUPAC name is 5-amino-1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
PubChem CID6498277
Molecular FormulaC14H12FN5OS
Molecular Weight317.35 g/mol
Exact Mass317.07
IUPAC Name5-amino-1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
SMILESNc1c(C(=O)NCc2cccs2)nnn1-c1ccc(F)cc1
InChIInChI=1S/C14H12FN5OS/c15-9-3-5-10(6-4-9)20-13(16)12(18-19-20)14(21)17-8-11-2-1-7-22-11/h1-7H,8,16H2,(H,17,21)
InChIKeyGXMWXXRVYIVQQE-UHFFFAOYSA-N
XLogP1.98
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-1-benzyl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
CID 7385917
1-(4-fluorophenyl)-5-pyridin-4-yl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide
CID 53123571
5-amino-1-(4-fluorophenyl)triazole-4-carboxamide
CID 1460729
5-amino-N-benzyl-1-phenyltriazole-4-carboxamide
CID 17015753
1-(4-bromo-3-methylphenyl)-5-methyl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
CID 46858176
2-amino-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 62075015
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxylate
CID 32928867
5-amino-1-(4-bromophenyl)-N-(furan-2-ylmethyl)triazole-4-carboxamide
CID 17015687
5-amino-N-(2-ethyl-6-methylphenyl)-1-(4-fluorophenyl)triazole-4-carboxamide
CID 17015813
N-(3-acetylphenyl)-5-amino-1-(4-fluorophenyl)triazole-4-carboxamide
CID 17014902
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-methyl-N-phenyltriazole-4-carboxamide
CID 27266266

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide?
The IUPAC name of 5-amino-1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide (CID 6498277) is 5-amino-1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide is Nc1c(C(=O)NCc2cccs2)nnn1-c1ccc(F)cc1.
What is the InChIKey of 5-amino-1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide?
The InChIKey is GXMWXXRVYIVQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5OS/c15-9-3-5-10(6-4-9)20-13(16)12(18-19-20)14(21)17-8-11-2-1-7-22-11/h1-7H,8,16H2,(H,17,21).
What are the key properties of 5-amino-1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide?
5-amino-1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 6498277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).