4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide

C17H18FN7OS — CID 29340373

IUPAC4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccs1)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1
InChIInChI=1S/C17H18FN7OS/c18-13-3-1-4-14(11-13)25-15(20-21-22-25)12-23-6-8-24(9-7-23)17(26)19-16-5-2-10-27-16/h1-5,10-11H,6-9,12H2,(H,19,26)
InChIKeyWUGFTDGEBZXYJK-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.21
Rot. Bonds4

About 4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide

4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide (PubChem CID 29340373) has the molecular formula C17H18FN7OS and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide
PubChem CID29340373
Molecular FormulaC17H18FN7OS
Molecular Weight387.44 g/mol
Exact Mass387.13
IUPAC Name4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccs1)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1
InChIInChI=1S/C17H18FN7OS/c18-13-3-1-4-14(11-13)25-15(20-21-22-25)12-23-6-8-24(9-7-23)17(26)19-16-5-2-10-27-16/h1-5,10-11H,6-9,12H2,(H,19,26)
InChIKeyWUGFTDGEBZXYJK-UHFFFAOYSA-N
XLogP2.21
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide (CID 29340373) is 4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide is O=C(Nc1cccs1)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1.
What is the InChIKey of 4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide?
The InChIKey is WUGFTDGEBZXYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN7OS/c18-13-3-1-4-14(11-13)25-15(20-21-22-25)12-23-6-8-24(9-7-23)17(26)19-16-5-2-10-27-16/h1-5,10-11H,6-9,12H2,(H,19,26).
What are the key properties of 4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide?
4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 29340373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).