4-[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl]piperazin-2-one

C17H14FN5O2S — CID 35795640

IUPAC4-[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)CCN1
InChIInChI=1S/C17H14FN5O2S/c18-11-3-5-12(6-4-11)23-16(13-2-1-9-26-13)20-15(21-23)17(25)22-8-7-19-14(24)10-22/h1-6,9H,7-8,10H2,(H,19,24)
InChIKeyGFAFJSCSPFWAMK-UHFFFAOYSA-N
MW371.40 g/mol
LogP1.71
Rot. Bonds3

About 4-[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl]piperazin-2-one

4-[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl]piperazin-2-one (PubChem CID 35795640) has the molecular formula C17H14FN5O2S and a molecular weight of 371.40 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl]piperazin-2-one
PubChem CID35795640
Molecular FormulaC17H14FN5O2S
Molecular Weight371.40 g/mol
Exact Mass371.09
IUPAC Name4-[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)CCN1
InChIInChI=1S/C17H14FN5O2S/c18-11-3-5-12(6-4-11)23-16(13-2-1-9-26-13)20-15(21-23)17(25)22-8-7-19-14(24)10-22/h1-6,9H,7-8,10H2,(H,19,24)
InChIKeyGFAFJSCSPFWAMK-UHFFFAOYSA-N
XLogP1.71
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 30543751
[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]-(5-oxa-8-azaspiro[2.6]nonan-8-yl)methanone
CID 166207797
4-[[4-[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methyl]benzamide
CID 112826583
cyclopropyl-[4-[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl]morpholin-2-yl]methanone
CID 166181970
N-(2-fluorophenyl)-1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 41466857
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]methanone
CID 36568275
N-cyclopentyl-N-cyclopropyl-1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 166198046
N-(4-acetamidocyclohexyl)-1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 154805770
(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 17495791
4-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 51476599
[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 31124118
N-[2-[di(propan-2-yl)amino]ethyl]-1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 18269386

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl]piperazin-2-one?
The IUPAC name of 4-[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl]piperazin-2-one (CID 35795640) is 4-[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl]piperazin-2-one is O=C1CN(C(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)CCN1.
What is the InChIKey of 4-[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl]piperazin-2-one?
The InChIKey is GFAFJSCSPFWAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O2S/c18-11-3-5-12(6-4-11)23-16(13-2-1-9-26-13)20-15(21-23)17(25)22-8-7-19-14(24)10-22/h1-6,9H,7-8,10H2,(H,19,24).
What are the key properties of 4-[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl]piperazin-2-one?
4-[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl]piperazin-2-one has a molecular weight of 371.40 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl]piperazin-2-one is sourced from PubChem (CID 35795640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).