[2-(3-fluorophenyl)piperazin-1-yl]-[1-(thiophen-2-ylmethyl)triazol-4-yl]methanone

C18H18FN5OS — CID 120737208

IUPAC[2-(3-fluorophenyl)piperazin-1-yl]-[1-(thiophen-2-ylmethyl)triazol-4-yl]methanone
SMILESO=C(c1cn(Cc2cccs2)nn1)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C18H18FN5OS/c19-14-4-1-3-13(9-14)17-10-20-6-7-24(17)18(25)16-12-23(22-21-16)11-15-5-2-8-26-15/h1-5,8-9,12,17,20H,6-7,10-11H2
InChIKeyGGCJDLPGQLTCLP-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.31
Rot. Bonds4

About [2-(3-fluorophenyl)piperazin-1-yl]-[1-(thiophen-2-ylmethyl)triazol-4-yl]methanone

[2-(3-fluorophenyl)piperazin-1-yl]-[1-(thiophen-2-ylmethyl)triazol-4-yl]methanone (PubChem CID 120737208) has the molecular formula C18H18FN5OS and a molecular weight of 371.44 g/mol. Its IUPAC name is [2-(3-fluorophenyl)piperazin-1-yl]-[1-(thiophen-2-ylmethyl)triazol-4-yl]methanone.

Molecular Properties

Compound Name[2-(3-fluorophenyl)piperazin-1-yl]-[1-(thiophen-2-ylmethyl)triazol-4-yl]methanone
PubChem CID120737208
Molecular FormulaC18H18FN5OS
Molecular Weight371.44 g/mol
Exact Mass371.12
IUPAC Name[2-(3-fluorophenyl)piperazin-1-yl]-[1-(thiophen-2-ylmethyl)triazol-4-yl]methanone
SMILESO=C(c1cn(Cc2cccs2)nn1)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C18H18FN5OS/c19-14-4-1-3-13(9-14)17-10-20-6-7-24(17)18(25)16-12-23(22-21-16)11-15-5-2-8-26-15/h1-5,8-9,12,17,20H,6-7,10-11H2
InChIKeyGGCJDLPGQLTCLP-UHFFFAOYSA-N
XLogP2.31
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)piperazin-1-yl]-[1-(thiophen-2-ylmethyl)triazol-4-yl]methanone?
The IUPAC name of [2-(3-fluorophenyl)piperazin-1-yl]-[1-(thiophen-2-ylmethyl)triazol-4-yl]methanone (CID 120737208) is [2-(3-fluorophenyl)piperazin-1-yl]-[1-(thiophen-2-ylmethyl)triazol-4-yl]methanone.
What is the SMILES notation for [2-(3-fluorophenyl)piperazin-1-yl]-[1-(thiophen-2-ylmethyl)triazol-4-yl]methanone?
The canonical SMILES for [2-(3-fluorophenyl)piperazin-1-yl]-[1-(thiophen-2-ylmethyl)triazol-4-yl]methanone is O=C(c1cn(Cc2cccs2)nn1)N1CCNCC1c1cccc(F)c1.
What is the InChIKey of [2-(3-fluorophenyl)piperazin-1-yl]-[1-(thiophen-2-ylmethyl)triazol-4-yl]methanone?
The InChIKey is GGCJDLPGQLTCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5OS/c19-14-4-1-3-13(9-14)17-10-20-6-7-24(17)18(25)16-12-23(22-21-16)11-15-5-2-8-26-15/h1-5,8-9,12,17,20H,6-7,10-11H2.
What are the key properties of [2-(3-fluorophenyl)piperazin-1-yl]-[1-(thiophen-2-ylmethyl)triazol-4-yl]methanone?
[2-(3-fluorophenyl)piperazin-1-yl]-[1-(thiophen-2-ylmethyl)triazol-4-yl]methanone has a molecular weight of 371.44 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)piperazin-1-yl]-[1-(thiophen-2-ylmethyl)triazol-4-yl]methanone is sourced from PubChem (CID 120737208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).