(4-pyrazin-2-ylpiperazin-1-yl)-[2-(thiophen-2-ylmethylsulfanyl)phenyl]methanone

C20H20N4OS2 — CID 32646532

IUPAC(4-pyrazin-2-ylpiperazin-1-yl)-[2-(thiophen-2-ylmethylsulfanyl)phenyl]methanone
SMILESO=C(c1ccccc1SCc1cccs1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C20H20N4OS2/c25-20(24-11-9-23(10-12-24)19-14-21-7-8-22-19)17-5-1-2-6-18(17)27-15-16-4-3-13-26-16/h1-8,13-14H,9-12,15H2
InChIKeyXVYRFDPUKIQBHF-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.79
Rot. Bonds5

About (4-pyrazin-2-ylpiperazin-1-yl)-[2-(thiophen-2-ylmethylsulfanyl)phenyl]methanone

(4-pyrazin-2-ylpiperazin-1-yl)-[2-(thiophen-2-ylmethylsulfanyl)phenyl]methanone (PubChem CID 32646532) has the molecular formula C20H20N4OS2 and a molecular weight of 396.54 g/mol. Its IUPAC name is (4-pyrazin-2-ylpiperazin-1-yl)-[2-(thiophen-2-ylmethylsulfanyl)phenyl]methanone.

Molecular Properties

Compound Name(4-pyrazin-2-ylpiperazin-1-yl)-[2-(thiophen-2-ylmethylsulfanyl)phenyl]methanone
PubChem CID32646532
Molecular FormulaC20H20N4OS2
Molecular Weight396.54 g/mol
Exact Mass396.11
IUPAC Name(4-pyrazin-2-ylpiperazin-1-yl)-[2-(thiophen-2-ylmethylsulfanyl)phenyl]methanone
SMILESO=C(c1ccccc1SCc1cccs1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C20H20N4OS2/c25-20(24-11-9-23(10-12-24)19-14-21-7-8-22-19)17-5-1-2-6-18(17)27-15-16-4-3-13-26-16/h1-8,13-14H,9-12,15H2
InChIKeyXVYRFDPUKIQBHF-UHFFFAOYSA-N
XLogP3.79
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[4-[2-(thiophen-2-ylmethylsulfanyl)benzoyl]piperazin-1-yl]phenyl]ethanone
CID 17466011
(4-fluorophenyl)-[4-[2-(thiophen-2-ylmethylsulfanyl)benzoyl]piperazin-1-yl]methanone
CID 38388557
(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)-[2-(thiophen-2-ylmethylsulfanyl)phenyl]methanone
CID 30832846
1,4-diazepan-1-yl-[2-(thiophen-2-ylmethylsulfanyl)phenyl]methanone
CID 119416113
6-[2-(thiophen-2-ylmethylsulfanyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175438
[4-(2-methylsulfonylethyl)piperazin-1-yl]-[2-(thiophen-2-ylmethylsulfanyl)phenyl]methanone
CID 56571935
(3S)-1-[2-(thiophen-2-ylmethylsulfanyl)benzoyl]piperidine-3-carboxylic acid
CID 119113694
(4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 13298543
(2-methylsulfanyl-3-pyridinyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023433
2-[2-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenoxy]acetamide
CID 32647513
(2,3-dichlorophenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023174
(2,3-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023215

Frequently Asked Questions

What is the IUPAC name of (4-pyrazin-2-ylpiperazin-1-yl)-[2-(thiophen-2-ylmethylsulfanyl)phenyl]methanone?
The IUPAC name of (4-pyrazin-2-ylpiperazin-1-yl)-[2-(thiophen-2-ylmethylsulfanyl)phenyl]methanone (CID 32646532) is (4-pyrazin-2-ylpiperazin-1-yl)-[2-(thiophen-2-ylmethylsulfanyl)phenyl]methanone.
What is the SMILES notation for (4-pyrazin-2-ylpiperazin-1-yl)-[2-(thiophen-2-ylmethylsulfanyl)phenyl]methanone?
The canonical SMILES for (4-pyrazin-2-ylpiperazin-1-yl)-[2-(thiophen-2-ylmethylsulfanyl)phenyl]methanone is O=C(c1ccccc1SCc1cccs1)N1CCN(c2cnccn2)CC1.
What is the InChIKey of (4-pyrazin-2-ylpiperazin-1-yl)-[2-(thiophen-2-ylmethylsulfanyl)phenyl]methanone?
The InChIKey is XVYRFDPUKIQBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS2/c25-20(24-11-9-23(10-12-24)19-14-21-7-8-22-19)17-5-1-2-6-18(17)27-15-16-4-3-13-26-16/h1-8,13-14H,9-12,15H2.
What are the key properties of (4-pyrazin-2-ylpiperazin-1-yl)-[2-(thiophen-2-ylmethylsulfanyl)phenyl]methanone?
(4-pyrazin-2-ylpiperazin-1-yl)-[2-(thiophen-2-ylmethylsulfanyl)phenyl]methanone has a molecular weight of 396.54 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrazin-2-ylpiperazin-1-yl)-[2-(thiophen-2-ylmethylsulfanyl)phenyl]methanone is sourced from PubChem (CID 32646532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).