1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-thiophen-2-ylethanone

C18H19FN6OS — CID 30857925

IUPAC1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1
InChIInChI=1S/C18H19FN6OS/c19-14-3-5-15(6-4-14)25-17(20-21-22-25)13-23-7-9-24(10-8-23)18(26)12-16-2-1-11-27-16/h1-6,11H,7-10,12-13H2
InChIKeyVMOURNQSGPQHBG-UHFFFAOYSA-N
MW386.46 g/mol
LogP1.75
Rot. Bonds5

About 1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-thiophen-2-ylethanone

1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 30857925) has the molecular formula C18H19FN6OS and a molecular weight of 386.46 g/mol. Its IUPAC name is 1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-thiophen-2-ylethanone
PubChem CID30857925
Molecular FormulaC18H19FN6OS
Molecular Weight386.46 g/mol
Exact Mass386.13
IUPAC Name1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1
InChIInChI=1S/C18H19FN6OS/c19-14-3-5-15(6-4-14)25-17(20-21-22-25)13-23-7-9-24(10-8-23)18(26)12-16-2-1-11-27-16/h1-6,11H,7-10,12-13H2
InChIKeyVMOURNQSGPQHBG-UHFFFAOYSA-N
XLogP1.75
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-thiophen-2-ylethanone (CID 30857925) is 1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is VMOURNQSGPQHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6OS/c19-14-3-5-15(6-4-14)25-17(20-21-22-25)13-23-7-9-24(10-8-23)18(26)12-16-2-1-11-27-16/h1-6,11H,7-10,12-13H2.
What are the key properties of 1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-thiophen-2-ylethanone?
1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 386.46 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 30857925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).