5-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazole

C13H16N4O2S2 — CID 110130911

IUPAC5-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazole
SMILESCS(=O)(=O)N1CCC(c2nccnc2-c2cncs2)CC1
InChIInChI=1S/C13H16N4O2S2/c1-21(18,19)17-6-2-10(3-7-17)12-13(16-5-4-15-12)11-8-14-9-20-11/h4-5,8-10H,2-3,6-7H2,1H3
InChIKeyIYBBJBSRJDKZGJ-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.74
Rot. Bonds3

About 5-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazole

5-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazole (PubChem CID 110130911) has the molecular formula C13H16N4O2S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 5-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazole
PubChem CID110130911
Molecular FormulaC13H16N4O2S2
Molecular Weight324.43 g/mol
Exact Mass324.07
IUPAC Name5-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazole
SMILESCS(=O)(=O)N1CCC(c2nccnc2-c2cncs2)CC1
InChIInChI=1S/C13H16N4O2S2/c1-21(18,19)17-6-2-10(3-7-17)12-13(16-5-4-15-12)11-8-14-9-20-11/h4-5,8-10H,2-3,6-7H2,1H3
InChIKeyIYBBJBSRJDKZGJ-UHFFFAOYSA-N
XLogP1.74
TPSA76.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazole?
The IUPAC name of 5-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazole (CID 110130911) is 5-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazole.
What is the SMILES notation for 5-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazole?
The canonical SMILES for 5-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazole is CS(=O)(=O)N1CCC(c2nccnc2-c2cncs2)CC1.
What is the InChIKey of 5-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazole?
The InChIKey is IYBBJBSRJDKZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S2/c1-21(18,19)17-6-2-10(3-7-17)12-13(16-5-4-15-12)11-8-14-9-20-11/h4-5,8-10H,2-3,6-7H2,1H3.
What are the key properties of 5-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazole?
5-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazole has a molecular weight of 324.43 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazole is sourced from PubChem (CID 110130911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).