1-[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone

C17H24N6O2S — CID 78904571

IUPAC1-[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESCCCc1sc(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1CC
InChIInChI=1S/C17H24N6O2S/c1-3-5-14-13(4-2)10-15(26-14)17(25)22-8-6-21(7-9-22)16(24)11-23-12-18-19-20-23/h10,12H,3-9,11H2,1-2H3
InChIKeyDYZRGHDTYOAWBZ-UHFFFAOYSA-N
MW376.49 g/mol
LogP1.23
Rot. Bonds6

About 1-[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone

1-[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone (PubChem CID 78904571) has the molecular formula C17H24N6O2S and a molecular weight of 376.49 g/mol. Its IUPAC name is 1-[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
PubChem CID78904571
Molecular FormulaC17H24N6O2S
Molecular Weight376.49 g/mol
Exact Mass376.17
IUPAC Name1-[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESCCCc1sc(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1CC
InChIInChI=1S/C17H24N6O2S/c1-3-5-14-13(4-2)10-15(26-14)17(25)22-8-6-21(7-9-22)16(24)11-23-12-18-19-20-23/h10,12H,3-9,11H2,1-2H3
InChIKeyDYZRGHDTYOAWBZ-UHFFFAOYSA-N
XLogP1.23
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
The IUPAC name of 1-[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone (CID 78904571) is 1-[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for 1-[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for 1-[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone is CCCc1sc(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1CC.
What is the InChIKey of 1-[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
The InChIKey is DYZRGHDTYOAWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2S/c1-3-5-14-13(4-2)10-15(26-14)17(25)22-8-6-21(7-9-22)16(24)11-23-12-18-19-20-23/h10,12H,3-9,11H2,1-2H3.
What are the key properties of 1-[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
1-[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone has a molecular weight of 376.49 g/mol, XLogP of 1.23, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 78904571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).