5-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole

C13H16N4O2S2 — CID 125012790

IUPAC5-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole
SMILESCS(=O)(=O)N1CCC[C@@H](c2cncc(-c3cncs3)n2)C1
InChIInChI=1S/C13H16N4O2S2/c1-21(18,19)17-4-2-3-10(8-17)11-5-14-6-12(16-11)13-7-15-9-20-13/h5-7,9-10H,2-4,8H2,1H3/t10-/m1/s1
InChIKeyWAJPABJIDJPFQD-SNVBAGLBSA-N
MW324.43 g/mol
LogP1.74
Rot. Bonds3

About 5-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole

5-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole (PubChem CID 125012790) has the molecular formula C13H16N4O2S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 5-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole
PubChem CID125012790
Molecular FormulaC13H16N4O2S2
Molecular Weight324.43 g/mol
Exact Mass324.07
IUPAC Name5-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole
SMILESCS(=O)(=O)N1CCC[C@@H](c2cncc(-c3cncs3)n2)C1
InChIInChI=1S/C13H16N4O2S2/c1-21(18,19)17-4-2-3-10(8-17)11-5-14-6-12(16-11)13-7-15-9-20-13/h5-7,9-10H,2-4,8H2,1H3/t10-/m1/s1
InChIKeyWAJPABJIDJPFQD-SNVBAGLBSA-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

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Related Compounds

4-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]benzoic acid
CID 110112232
5-[6-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole
CID 125023963
2-chloro-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 124938808
5-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid
CID 125005344
2-(1-ethylpyrazol-4-yl)-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 125020173
3-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]imidazo[1,2-a]pyrimidine
CID 110096967
2-(4-fluorophenyl)-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyridine
CID 95817962
2-[(3R)-1-methylsulfonylpiperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyrazine
CID 124973464
2-[(3R)-1-methylsulfonylpiperidin-3-yl]-6-phenoxypyrazine
CID 95822186
4,6-dimethyl-N-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine
CID 110252905
6-(1-methylsulfonylpiperidin-3-yl)-N-pyridin-2-ylpyrazin-2-amine
CID 110252903
2-bromo-5-(1-methylsulfonylpiperidin-3-yl)pyrazine
CID 110082276

Frequently Asked Questions

What is the IUPAC name of 5-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole?
The IUPAC name of 5-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole (CID 125012790) is 5-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole.
What is the SMILES notation for 5-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole?
The canonical SMILES for 5-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole is CS(=O)(=O)N1CCC[C@@H](c2cncc(-c3cncs3)n2)C1.
What is the InChIKey of 5-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole?
The InChIKey is WAJPABJIDJPFQD-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16N4O2S2/c1-21(18,19)17-4-2-3-10(8-17)11-5-14-6-12(16-11)13-7-15-9-20-13/h5-7,9-10H,2-4,8H2,1H3/t10-/m1/s1.
What are the key properties of 5-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole?
5-[6-[(3R)-1-methylsulfonylpiperidin-3-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-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole is sourced from PubChem (CID 125012790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).