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

C15H20N6O3S — CID 1452263

IUPAC1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(1-propyltetrazol-5-yl)sulfanylethanone
SMILESCCCn1nnnc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C15H20N6O3S/c1-2-5-21-15(16-17-18-21)25-11-13(22)19-6-8-20(9-7-19)14(23)12-4-3-10-24-12/h3-4,10H,2,5-9,11H2,1H3
InChIKeyJYDISMQIJNHSJY-UHFFFAOYSA-N
MW364.43 g/mol
LogP0.75
Rot. Bonds6

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

1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(1-propyltetrazol-5-yl)sulfanylethanone (PubChem CID 1452263) 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-propyltetrazol-5-yl)sulfanylethanone.

Molecular Properties

Compound Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(1-propyltetrazol-5-yl)sulfanylethanone
PubChem CID1452263
Molecular FormulaC15H20N6O3S
Molecular Weight364.43 g/mol
Exact Mass364.13
IUPAC Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(1-propyltetrazol-5-yl)sulfanylethanone
SMILESCCCn1nnnc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C15H20N6O3S/c1-2-5-21-15(16-17-18-21)25-11-13(22)19-6-8-20(9-7-19)14(23)12-4-3-10-24-12/h3-4,10H,2,5-9,11H2,1H3
InChIKeyJYDISMQIJNHSJY-UHFFFAOYSA-N
XLogP0.75
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(5-Furan-2-yl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-morpholin-4-yl-ethanone
CID 857112
{4-[1-(1-Cyclohexyl-1H-tetrazol-5-yl)-butyl]-piperazin-1-yl}-furan-2-yl-methanone
CID 24792460
2-(4-Ethyl-5-furan-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-morpholin-4-yl-ethanone
CID 857603
1-[4-(2-Furylcarbonyl)piperazinyl]-2-(1-methyl(1,2,3,4-tetraazol-5-ylthio))eth an-1-one
CID 1081022
N'-[2-(1-propyltetrazol-5-yl)sulfanylacetyl]furan-2-carbohydrazide
CID 1452258
{4-[(1-Cyclohexyl-1H-tetrazol-5-yl)-thiophen-2-yl-methyl]-piperazin-1-yl}-furan-2-yl-methanone
CID 650097
2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-N-furan-2-ylmethyl-acetamide
CID 650676
N-Furan-2-ylmethyl-2-(1-methyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 655043
2-(5-Furan-2-yl-4-propyl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-piperidin-1-yl-ethanone
CID 656104
2-(1-Cyclohexyltetrazol-5-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 1440841
1-[4-(Furan-2-carbonyl)-piperazin-1-yl]-2-(1-isopropyl-1H-tetrazol-5-ylsulfanyl)-ethanone
CID 1452362
Furan-2-yl-[4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone
CID 3210215

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(1-propyltetrazol-5-yl)sulfanylethanone?
The IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(1-propyltetrazol-5-yl)sulfanylethanone (CID 1452263) is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(1-propyltetrazol-5-yl)sulfanylethanone.
What is the SMILES notation for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(1-propyltetrazol-5-yl)sulfanylethanone?
The canonical SMILES for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(1-propyltetrazol-5-yl)sulfanylethanone is CCCn1nnnc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(1-propyltetrazol-5-yl)sulfanylethanone?
The InChIKey is JYDISMQIJNHSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O3S/c1-2-5-21-15(16-17-18-21)25-11-13(22)19-6-8-20(9-7-19)14(23)12-4-3-10-24-12/h3-4,10H,2,5-9,11H2,1H3.
What are the key properties of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(1-propyltetrazol-5-yl)sulfanylethanone?
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(1-propyltetrazol-5-yl)sulfanylethanone has a molecular weight of 364.43 g/mol, XLogP of 0.75, 6 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-propyltetrazol-5-yl)sulfanylethanone is sourced from PubChem (CID 1452263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).