pyrazin-2-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

C14H16N4OS — CID 35438427

IUPACpyrazin-2-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1cnccn1)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C14H16N4OS/c19-14(13-9-15-2-3-16-13)18-6-4-17(5-7-18)10-12-1-8-20-11-12/h1-3,8-9,11H,4-7,10H2
InChIKeyZLSHENZCKXQOCO-UHFFFAOYSA-N
MW288.38 g/mol
LogP1.50
Rot. Bonds3

About pyrazin-2-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

pyrazin-2-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (PubChem CID 35438427) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is pyrazin-2-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namepyrazin-2-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
PubChem CID35438427
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Namepyrazin-2-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1cnccn1)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C14H16N4OS/c19-14(13-9-15-2-3-16-13)18-6-4-17(5-7-18)10-12-1-8-20-11-12/h1-3,8-9,11H,4-7,10H2
InChIKeyZLSHENZCKXQOCO-UHFFFAOYSA-N
XLogP1.50
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of pyrazin-2-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (CID 35438427) is pyrazin-2-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for pyrazin-2-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for pyrazin-2-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is O=C(c1cnccn1)N1CCN(Cc2ccsc2)CC1.
What is the InChIKey of pyrazin-2-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is ZLSHENZCKXQOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c19-14(13-9-15-2-3-16-13)18-6-4-17(5-7-18)10-12-1-8-20-11-12/h1-3,8-9,11H,4-7,10H2.
What are the key properties of pyrazin-2-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
pyrazin-2-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 288.38 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 35438427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).