2-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]-1,3-thiazole

C14H17N3O2S2 — CID 124982395

IUPAC2-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]-1,3-thiazole
SMILESCS(=O)(=O)N1CCC[C@H](c2ccc(-c3nccs3)cn2)C1
InChIInChI=1S/C14H17N3O2S2/c1-21(18,19)17-7-2-3-12(10-17)13-5-4-11(9-16-13)14-15-6-8-20-14/h4-6,8-9,12H,2-3,7,10H2,1H3/t12-/m0/s1
InChIKeyMWQXUEPHSNIIHS-LBPRGKRZSA-N
MW323.44 g/mol
LogP2.34
Rot. Bonds3

About 2-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]-1,3-thiazole

2-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]-1,3-thiazole (PubChem CID 124982395) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]-1,3-thiazole
PubChem CID124982395
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC Name2-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]-1,3-thiazole
SMILESCS(=O)(=O)N1CCC[C@H](c2ccc(-c3nccs3)cn2)C1
InChIInChI=1S/C14H17N3O2S2/c1-21(18,19)17-7-2-3-12(10-17)13-5-4-11(9-16-13)14-15-6-8-20-14/h4-6,8-9,12H,2-3,7,10H2,1H3/t12-/m0/s1
InChIKeyMWQXUEPHSNIIHS-LBPRGKRZSA-N
XLogP2.34
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dimethyl-2-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]-1,3-thiazole
CID 124998697
2-[4-(1-methylsulfonylpiperidin-3-yl)-2-pyridinyl]-1,3-thiazole
CID 110100363
3-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]imidazo[1,2-a]pyrimidine
CID 125021786
N,N-dimethyl-2-[5-(1,3-thiazol-2-yl)-2-pyridinyl]pyrrolidine-1-sulfonamide
CID 110093241
3-[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 110100406
5-benzyl-2-(1-methylsulfonylpiperidin-3-yl)pyridine
CID 110264018
2-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-3-ylpyrazine
CID 110257451
2-bromo-5-(1-methylsulfonylpiperidin-3-yl)pyrazine
CID 110082276
2-methyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 95817357
2-(4-fluorophenyl)-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyridine
CID 95817962
2-[5-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]-1,3-oxazole
CID 124976826
5-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole
CID 125012790

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]-1,3-thiazole?
The IUPAC name of 2-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]-1,3-thiazole (CID 124982395) is 2-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]-1,3-thiazole.
What is the SMILES notation for 2-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]-1,3-thiazole?
The canonical SMILES for 2-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]-1,3-thiazole is CS(=O)(=O)N1CCC[C@H](c2ccc(-c3nccs3)cn2)C1.
What is the InChIKey of 2-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]-1,3-thiazole?
The InChIKey is MWQXUEPHSNIIHS-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-21(18,19)17-7-2-3-12(10-17)13-5-4-11(9-16-13)14-15-6-8-20-14/h4-6,8-9,12H,2-3,7,10H2,1H3/t12-/m0/s1.
What are the key properties of 2-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]-1,3-thiazole?
2-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]-1,3-thiazole has a molecular weight of 323.44 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 124982395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).