2-[4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazin-1-yl]-3H-indole

C21H25N7S — CID 127039769

IUPAC2-[4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazin-1-yl]-3H-indole
SMILESCCC(c1nnnn1Cc1cccs1)N1CCN(C2=Nc3ccccc3C2)CC1
InChIInChI=1S/C21H25N7S/c1-2-19(21-23-24-25-28(21)15-17-7-5-13-29-17)26-9-11-27(12-10-26)20-14-16-6-3-4-8-18(16)22-20/h3-8,13,19H,2,9-12,14-15H2,1H3
InChIKeyVNGNVLSJMMZRAJ-UHFFFAOYSA-N
MW407.55 g/mol
LogP3.14
Rot. Bonds5

About 2-[4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazin-1-yl]-3H-indole

2-[4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazin-1-yl]-3H-indole (PubChem CID 127039769) has the molecular formula C21H25N7S and a molecular weight of 407.55 g/mol. Its IUPAC name is 2-[4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazin-1-yl]-3H-indole.

Molecular Properties

Compound Name2-[4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazin-1-yl]-3H-indole
PubChem CID127039769
Molecular FormulaC21H25N7S
Molecular Weight407.55 g/mol
Exact Mass407.19
IUPAC Name2-[4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazin-1-yl]-3H-indole
SMILESCCC(c1nnnn1Cc1cccs1)N1CCN(C2=Nc3ccccc3C2)CC1
InChIInChI=1S/C21H25N7S/c1-2-19(21-23-24-25-28(21)15-17-7-5-13-29-17)26-9-11-27(12-10-26)20-14-16-6-3-4-8-18(16)22-20/h3-8,13,19H,2,9-12,14-15H2,1H3
InChIKeyVNGNVLSJMMZRAJ-UHFFFAOYSA-N
XLogP3.14
TPSA62.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.55
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazin-1-yl]-3H-indole?
The IUPAC name of 2-[4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazin-1-yl]-3H-indole (CID 127039769) is 2-[4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazin-1-yl]-3H-indole.
What is the SMILES notation for 2-[4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazin-1-yl]-3H-indole?
The canonical SMILES for 2-[4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazin-1-yl]-3H-indole is CCC(c1nnnn1Cc1cccs1)N1CCN(C2=Nc3ccccc3C2)CC1.
What is the InChIKey of 2-[4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazin-1-yl]-3H-indole?
The InChIKey is VNGNVLSJMMZRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7S/c1-2-19(21-23-24-25-28(21)15-17-7-5-13-29-17)26-9-11-27(12-10-26)20-14-16-6-3-4-8-18(16)22-20/h3-8,13,19H,2,9-12,14-15H2,1H3.
What are the key properties of 2-[4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazin-1-yl]-3H-indole?
2-[4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazin-1-yl]-3H-indole has a molecular weight of 407.55 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazin-1-yl]-3H-indole is sourced from PubChem (CID 127039769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).