[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-thiophen-2-ylmethanone

C16H16N6OS — CID 2243324

IUPAC[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C16H16N6OS/c23-15(14-7-4-12-24-14)20-8-10-21(11-9-20)16-17-18-19-22(16)13-5-2-1-3-6-13/h1-7,12H,8-11H2
InChIKeyOYQLSYOKRNPFRZ-UHFFFAOYSA-N
MW340.41 g/mol
LogP1.69
Rot. Bonds3

About [4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-thiophen-2-ylmethanone

[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 2243324) has the molecular formula C16H16N6OS and a molecular weight of 340.41 g/mol. Its IUPAC name is [4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID2243324
Molecular FormulaC16H16N6OS
Molecular Weight340.41 g/mol
Exact Mass340.11
IUPAC Name[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C16H16N6OS/c23-15(14-7-4-12-24-14)20-8-10-21(11-9-20)16-17-18-19-22(16)13-5-2-1-3-6-13/h1-7,12H,8-11H2
InChIKeyOYQLSYOKRNPFRZ-UHFFFAOYSA-N
XLogP1.69
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-thiophen-2-ylmethanone (CID 2243324) is [4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of [4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is OYQLSYOKRNPFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6OS/c23-15(14-7-4-12-24-14)20-8-10-21(11-9-20)16-17-18-19-22(16)13-5-2-1-3-6-13/h1-7,12H,8-11H2.
What are the key properties of [4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 340.41 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 2243324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).