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

C14H17N3O2S2 — CID 110100363

IUPAC2-[4-(1-methylsulfonylpiperidin-3-yl)-2-pyridinyl]-1,3-thiazole
SMILESCS(=O)(=O)N1CCCC(c2ccnc(-c3nccs3)c2)C1
InChIInChI=1S/C14H17N3O2S2/c1-21(18,19)17-7-2-3-12(10-17)11-4-5-15-13(9-11)14-16-6-8-20-14/h4-6,8-9,12H,2-3,7,10H2,1H3
InChIKeyLJXJCJTUTFKDLG-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.34
Rot. Bonds3

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

2-[4-(1-methylsulfonylpiperidin-3-yl)-2-pyridinyl]-1,3-thiazole (PubChem CID 110100363) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-[4-(1-methylsulfonylpiperidin-3-yl)-2-pyridinyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(1-methylsulfonylpiperidin-3-yl)-2-pyridinyl]-1,3-thiazole
PubChem CID110100363
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC Name2-[4-(1-methylsulfonylpiperidin-3-yl)-2-pyridinyl]-1,3-thiazole
SMILESCS(=O)(=O)N1CCCC(c2ccnc(-c3nccs3)c2)C1
InChIInChI=1S/C14H17N3O2S2/c1-21(18,19)17-7-2-3-12(10-17)11-4-5-15-13(9-11)14-16-6-8-20-14/h4-6,8-9,12H,2-3,7,10H2,1H3
InChIKeyLJXJCJTUTFKDLG-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methylsulfonylpiperidin-3-yl)-2-pyridinyl]-1,3-thiazole?
The IUPAC name of 2-[4-(1-methylsulfonylpiperidin-3-yl)-2-pyridinyl]-1,3-thiazole (CID 110100363) is 2-[4-(1-methylsulfonylpiperidin-3-yl)-2-pyridinyl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(1-methylsulfonylpiperidin-3-yl)-2-pyridinyl]-1,3-thiazole?
The canonical SMILES for 2-[4-(1-methylsulfonylpiperidin-3-yl)-2-pyridinyl]-1,3-thiazole is CS(=O)(=O)N1CCCC(c2ccnc(-c3nccs3)c2)C1.
What is the InChIKey of 2-[4-(1-methylsulfonylpiperidin-3-yl)-2-pyridinyl]-1,3-thiazole?
The InChIKey is LJXJCJTUTFKDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-21(18,19)17-7-2-3-12(10-17)11-4-5-15-13(9-11)14-16-6-8-20-14/h4-6,8-9,12H,2-3,7,10H2,1H3.
What are the key properties of 2-[4-(1-methylsulfonylpiperidin-3-yl)-2-pyridinyl]-1,3-thiazole?
2-[4-(1-methylsulfonylpiperidin-3-yl)-2-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-[4-(1-methylsulfonylpiperidin-3-yl)-2-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 110100363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).