1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone

C15H20N6O3S — CID 1452362

IUPAC1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone
SMILESCC(C)n1nnnc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C15H20N6O3S/c1-11(2)21-15(16-17-18-21)25-10-13(22)19-5-7-20(8-6-19)14(23)12-4-3-9-24-12/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyVRTXCQWJWCWLDU-UHFFFAOYSA-N
MW364.43 g/mol
LogP0.92
Rot. Bonds5

About 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone

1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone (PubChem CID 1452362) has the molecular formula C15H20N6O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone.

Molecular Properties

Compound Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone
PubChem CID1452362
Molecular FormulaC15H20N6O3S
Molecular Weight364.43 g/mol
Exact Mass364.13
IUPAC Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone
SMILESCC(C)n1nnnc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C15H20N6O3S/c1-11(2)21-15(16-17-18-21)25-10-13(22)19-5-7-20(8-6-19)14(23)12-4-3-9-24-12/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyVRTXCQWJWCWLDU-UHFFFAOYSA-N
XLogP0.92
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone?
The IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone (CID 1452362) is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone.
What is the SMILES notation for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone?
The canonical SMILES for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone is CC(C)n1nnnc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone?
The InChIKey is VRTXCQWJWCWLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O3S/c1-11(2)21-15(16-17-18-21)25-10-13(22)19-5-7-20(8-6-19)14(23)12-4-3-9-24-12/h3-4,9,11H,5-8,10H2,1-2H3.
What are the key properties of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone?
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone has a molecular weight of 364.43 g/mol, XLogP of 0.92, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone is sourced from PubChem (CID 1452362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).