2-(1-butyltetrazol-5-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone

C16H22N6O3S — CID 655370

IUPAC2-(1-butyltetrazol-5-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
SMILESCCCCn1nnnc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H22N6O3S/c1-2-3-6-22-16(17-18-19-22)26-12-14(23)20-7-9-21(10-8-20)15(24)13-5-4-11-25-13/h4-5,11H,2-3,6-10,12H2,1H3
InChIKeyUBYCEWGFDKTFSR-UHFFFAOYSA-N
MW378.46 g/mol
LogP1.14
Rot. Bonds7

About 2-(1-butyltetrazol-5-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone

2-(1-butyltetrazol-5-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 655370) has the molecular formula C16H22N6O3S and a molecular weight of 378.46 g/mol. Its IUPAC name is 2-(1-butyltetrazol-5-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-butyltetrazol-5-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID655370
Molecular FormulaC16H22N6O3S
Molecular Weight378.46 g/mol
Exact Mass378.15
IUPAC Name2-(1-butyltetrazol-5-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
SMILESCCCCn1nnnc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H22N6O3S/c1-2-3-6-22-16(17-18-19-22)26-12-14(23)20-7-9-21(10-8-20)15(24)13-5-4-11-25-13/h4-5,11H,2-3,6-10,12H2,1H3
InChIKeyUBYCEWGFDKTFSR-UHFFFAOYSA-N
XLogP1.14
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(1-butyltetrazol-5-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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 2-(1-butyltetrazol-5-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(1-butyltetrazol-5-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone (CID 655370) is 2-(1-butyltetrazol-5-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(1-butyltetrazol-5-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(1-butyltetrazol-5-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone is CCCCn1nnnc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 2-(1-butyltetrazol-5-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is UBYCEWGFDKTFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O3S/c1-2-3-6-22-16(17-18-19-22)26-12-14(23)20-7-9-21(10-8-20)15(24)13-5-4-11-25-13/h4-5,11H,2-3,6-10,12H2,1H3.
What are the key properties of 2-(1-butyltetrazol-5-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
2-(1-butyltetrazol-5-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 378.46 g/mol, XLogP of 1.14, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butyltetrazol-5-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 655370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).