1-(2,5-dimethylthiophen-3-yl)-2-pyrazin-2-ylsulfanylethanone

C12H12N2OS2 — CID 63381063

IUPAC1-(2,5-dimethylthiophen-3-yl)-2-pyrazin-2-ylsulfanylethanone
SMILESCc1cc(C(=O)CSc2cnccn2)c(C)s1
InChIInChI=1S/C12H12N2OS2/c1-8-5-10(9(2)17-8)11(15)7-16-12-6-13-3-4-14-12/h3-6H,7H2,1-2H3
InChIKeyHXNDZUGBIJLNGG-UHFFFAOYSA-N
MW264.38 g/mol
LogP3.13
Rot. Bonds4

About 1-(2,5-dimethylthiophen-3-yl)-2-pyrazin-2-ylsulfanylethanone

1-(2,5-dimethylthiophen-3-yl)-2-pyrazin-2-ylsulfanylethanone (PubChem CID 63381063) has the molecular formula C12H12N2OS2 and a molecular weight of 264.38 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-2-pyrazin-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-2-pyrazin-2-ylsulfanylethanone
PubChem CID63381063
Molecular FormulaC12H12N2OS2
Molecular Weight264.38 g/mol
Exact Mass264.04
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-2-pyrazin-2-ylsulfanylethanone
SMILESCc1cc(C(=O)CSc2cnccn2)c(C)s1
InChIInChI=1S/C12H12N2OS2/c1-8-5-10(9(2)17-8)11(15)7-16-12-6-13-3-4-14-12/h3-6H,7H2,1-2H3
InChIKeyHXNDZUGBIJLNGG-UHFFFAOYSA-N
XLogP3.13
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-pyrazin-2-ylsulfanylethanone?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-pyrazin-2-ylsulfanylethanone (CID 63381063) is 1-(2,5-dimethylthiophen-3-yl)-2-pyrazin-2-ylsulfanylethanone.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-2-pyrazin-2-ylsulfanylethanone?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-2-pyrazin-2-ylsulfanylethanone is Cc1cc(C(=O)CSc2cnccn2)c(C)s1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-2-pyrazin-2-ylsulfanylethanone?
The InChIKey is HXNDZUGBIJLNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS2/c1-8-5-10(9(2)17-8)11(15)7-16-12-6-13-3-4-14-12/h3-6H,7H2,1-2H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-2-pyrazin-2-ylsulfanylethanone?
1-(2,5-dimethylthiophen-3-yl)-2-pyrazin-2-ylsulfanylethanone has a molecular weight of 264.38 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-2-pyrazin-2-ylsulfanylethanone is sourced from PubChem (CID 63381063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).