N-[1-(4-fluorophenyl)cyclopentyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide

C19H19FN4OS — CID 139004999

IUPACN-[1-(4-fluorophenyl)cyclopentyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide
SMILESO=C(NC1(c2ccc(F)cc2)CCCC1)c1cn(Cc2cccs2)nn1
InChIInChI=1S/C19H19FN4OS/c20-15-7-5-14(6-8-15)19(9-1-2-10-19)21-18(25)17-13-24(23-22-17)12-16-4-3-11-26-16/h3-8,11,13H,1-2,9-10,12H2,(H,21,25)
InChIKeyVNMXKBYINAHIFH-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.73
Rot. Bonds5

About N-[1-(4-fluorophenyl)cyclopentyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide

N-[1-(4-fluorophenyl)cyclopentyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide (PubChem CID 139004999) has the molecular formula C19H19FN4OS and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)cyclopentyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)cyclopentyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide
PubChem CID139004999
Molecular FormulaC19H19FN4OS
Molecular Weight370.45 g/mol
Exact Mass370.13
IUPAC NameN-[1-(4-fluorophenyl)cyclopentyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide
SMILESO=C(NC1(c2ccc(F)cc2)CCCC1)c1cn(Cc2cccs2)nn1
InChIInChI=1S/C19H19FN4OS/c20-15-7-5-14(6-8-15)19(9-1-2-10-19)21-18(25)17-13-24(23-22-17)12-16-4-3-11-26-16/h3-8,11,13H,1-2,9-10,12H2,(H,21,25)
InChIKeyVNMXKBYINAHIFH-UHFFFAOYSA-N
XLogP3.73
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)cyclopentyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)cyclopentyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide (CID 139004999) is N-[1-(4-fluorophenyl)cyclopentyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)cyclopentyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)cyclopentyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide is O=C(NC1(c2ccc(F)cc2)CCCC1)c1cn(Cc2cccs2)nn1.
What is the InChIKey of N-[1-(4-fluorophenyl)cyclopentyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide?
The InChIKey is VNMXKBYINAHIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4OS/c20-15-7-5-14(6-8-15)19(9-1-2-10-19)21-18(25)17-13-24(23-22-17)12-16-4-3-11-26-16/h3-8,11,13H,1-2,9-10,12H2,(H,21,25).
What are the key properties of N-[1-(4-fluorophenyl)cyclopentyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide?
N-[1-(4-fluorophenyl)cyclopentyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)cyclopentyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 139004999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).