1-ethyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine

C19H24N6S — CID 3210269

IUPAC1-ethyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
SMILESCCN1CCN(C(c2ccccc2)c2nnnn2Cc2cccs2)CC1
InChIInChI=1S/C19H24N6S/c1-2-23-10-12-24(13-11-23)18(16-7-4-3-5-8-16)19-20-21-22-25(19)15-17-9-6-14-26-17/h3-9,14,18H,2,10-13,15H2,1H3
InChIKeyBFEJSMPLGQOPEF-UHFFFAOYSA-N
MW368.51 g/mol
LogP2.51
Rot. Bonds6

About 1-ethyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine

1-ethyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine (PubChem CID 3210269) has the molecular formula C19H24N6S and a molecular weight of 368.51 g/mol. Its IUPAC name is 1-ethyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
PubChem CID3210269
Molecular FormulaC19H24N6S
Molecular Weight368.51 g/mol
Exact Mass368.18
IUPAC Name1-ethyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
SMILESCCN1CCN(C(c2ccccc2)c2nnnn2Cc2cccs2)CC1
InChIInChI=1S/C19H24N6S/c1-2-23-10-12-24(13-11-23)18(16-7-4-3-5-8-16)19-20-21-22-25(19)15-17-9-6-14-26-17/h3-9,14,18H,2,10-13,15H2,1H3
InChIKeyBFEJSMPLGQOPEF-UHFFFAOYSA-N
XLogP2.51
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-ethyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
The IUPAC name of 1-ethyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine (CID 3210269) is 1-ethyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
The canonical SMILES for 1-ethyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine is CCN1CCN(C(c2ccccc2)c2nnnn2Cc2cccs2)CC1.
What is the InChIKey of 1-ethyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
The InChIKey is BFEJSMPLGQOPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6S/c1-2-23-10-12-24(13-11-23)18(16-7-4-3-5-8-16)19-20-21-22-25(19)15-17-9-6-14-26-17/h3-9,14,18H,2,10-13,15H2,1H3.
What are the key properties of 1-ethyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
1-ethyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine has a molecular weight of 368.51 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine is sourced from PubChem (CID 3210269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).