1-[[1-(2-methoxyethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-4-phenylpiperazine

C19H24N6OS — CID 646797

IUPAC1-[[1-(2-methoxyethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-4-phenylpiperazine
SMILESCOCCn1nnnc1C(c1cccs1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H24N6OS/c1-26-14-13-25-19(20-21-22-25)18(17-8-5-15-27-17)24-11-9-23(10-12-24)16-6-3-2-4-7-16/h2-8,15,18H,9-14H2,1H3
InChIKeyVUVGTZRLSXMDMA-UHFFFAOYSA-N
MW384.51 g/mol
LogP2.29
Rot. Bonds7

About 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-4-phenylpiperazine

1-[[1-(2-methoxyethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-4-phenylpiperazine (PubChem CID 646797) has the molecular formula C19H24N6OS and a molecular weight of 384.51 g/mol. Its IUPAC name is 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[[1-(2-methoxyethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-4-phenylpiperazine
PubChem CID646797
Molecular FormulaC19H24N6OS
Molecular Weight384.51 g/mol
Exact Mass384.17
IUPAC Name1-[[1-(2-methoxyethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-4-phenylpiperazine
SMILESCOCCn1nnnc1C(c1cccs1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H24N6OS/c1-26-14-13-25-19(20-21-22-25)18(17-8-5-15-27-17)24-11-9-23(10-12-24)16-6-3-2-4-7-16/h2-8,15,18H,9-14H2,1H3
InChIKeyVUVGTZRLSXMDMA-UHFFFAOYSA-N
XLogP2.29
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-4-phenylpiperazine 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-[[1-(2-methoxyethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-4-phenylpiperazine?
The IUPAC name of 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-4-phenylpiperazine (CID 646797) is 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-4-phenylpiperazine?
The canonical SMILES for 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-4-phenylpiperazine is COCCn1nnnc1C(c1cccs1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-4-phenylpiperazine?
The InChIKey is VUVGTZRLSXMDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6OS/c1-26-14-13-25-19(20-21-22-25)18(17-8-5-15-27-17)24-11-9-23(10-12-24)16-6-3-2-4-7-16/h2-8,15,18H,9-14H2,1H3.
What are the key properties of 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-4-phenylpiperazine?
1-[[1-(2-methoxyethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-4-phenylpiperazine has a molecular weight of 384.51 g/mol, XLogP of 2.29, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-4-phenylpiperazine is sourced from PubChem (CID 646797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).