furan-2-yl-[4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone

C18H22N6O2S — CID 3210215

IUPACfuran-2-yl-[4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone
SMILESCCC(c1nnnn1Cc1cccs1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H22N6O2S/c1-2-15(17-19-20-21-24(17)13-14-5-4-12-27-14)22-7-9-23(10-8-22)18(25)16-6-3-11-26-16/h3-6,11-12,15H,2,7-10,13H2,1H3
InChIKeySRNBSVLZDCIVTL-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.29
Rot. Bonds6

About furan-2-yl-[4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone

furan-2-yl-[4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone (PubChem CID 3210215) has the molecular formula C18H22N6O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is furan-2-yl-[4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone
PubChem CID3210215
Molecular FormulaC18H22N6O2S
Molecular Weight386.48 g/mol
Exact Mass386.15
IUPAC Namefuran-2-yl-[4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone
SMILESCCC(c1nnnn1Cc1cccs1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H22N6O2S/c1-2-15(17-19-20-21-24(17)13-14-5-4-12-27-14)22-7-9-23(10-8-22)18(25)16-6-3-11-26-16/h3-6,11-12,15H,2,7-10,13H2,1H3
InChIKeySRNBSVLZDCIVTL-UHFFFAOYSA-N
XLogP2.29
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone (CID 3210215) is furan-2-yl-[4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone is CCC(c1nnnn1Cc1cccs1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of furan-2-yl-[4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone?
The InChIKey is SRNBSVLZDCIVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2S/c1-2-15(17-19-20-21-24(17)13-14-5-4-12-27-14)22-7-9-23(10-8-22)18(25)16-6-3-11-26-16/h3-6,11-12,15H,2,7-10,13H2,1H3.
What are the key properties of furan-2-yl-[4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone has a molecular weight of 386.48 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone is sourced from PubChem (CID 3210215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).