2-(1-ethyltetrazol-5-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone

C15H20N6OS — CID 2810020

IUPAC2-(1-ethyltetrazol-5-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCCn1nnnc1SCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H20N6OS/c1-2-21-15(16-17-18-21)23-12-14(22)20-10-8-19(9-11-20)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3
InChIKeyKHFQUEQATRFZFS-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.13
Rot. Bonds5

About 2-(1-ethyltetrazol-5-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone

2-(1-ethyltetrazol-5-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 2810020) has the molecular formula C15H20N6OS and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-(1-ethyltetrazol-5-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-ethyltetrazol-5-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID2810020
Molecular FormulaC15H20N6OS
Molecular Weight332.43 g/mol
Exact Mass332.14
IUPAC Name2-(1-ethyltetrazol-5-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCCn1nnnc1SCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H20N6OS/c1-2-21-15(16-17-18-21)23-12-14(22)20-10-8-19(9-11-20)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3
InChIKeyKHFQUEQATRFZFS-UHFFFAOYSA-N
XLogP1.13
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Cambridge id 6954776
CID 716699
2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-N-(4-fluoro-phenyl)-acetamide
CID 855256
N-(2-Fluoro-phenyl)-2-(1-isopropyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 1452354
N-methyl-N-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2408253
1-[2-(1-Phenyltetrazol-5-yl)sulfanylacetyl]pyrrolidin-2-one
CID 2555772
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(1-methyl-1H-tetrazol-5-yl)thio]acetamide
CID 1224972
2-[(1-benzyl-1H-tetrazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 1332881
2-{[1-(2-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 4893291
2-[(1-cyclohexyl-1H-tetrazol-5-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
CID 805201
N-(4-Fluoro-phenyl)-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 644910
N-{3-[2-(1-Cyclopentyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-phenyl}-propionamide
CID 645548
2-(1-Isopropyl-1H-tetrazol-5-ylsulfanyl)-N-(2-morpholin-4-yl-phenyl)-acetamide
CID 645894

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyltetrazol-5-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(1-ethyltetrazol-5-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone (CID 2810020) is 2-(1-ethyltetrazol-5-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(1-ethyltetrazol-5-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(1-ethyltetrazol-5-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone is CCn1nnnc1SCC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(1-ethyltetrazol-5-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is KHFQUEQATRFZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6OS/c1-2-21-15(16-17-18-21)23-12-14(22)20-10-8-19(9-11-20)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3.
What are the key properties of 2-(1-ethyltetrazol-5-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone?
2-(1-ethyltetrazol-5-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 332.43 g/mol, XLogP of 1.13, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyltetrazol-5-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 2810020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).