5-(4-methylsulfonylphenyl)-2-piperidin-4-yl-[1,3]thiazolo[5,4-b]pyridine

C18H19N3O2S2 — CID 131985315

IUPAC5-(4-methylsulfonylphenyl)-2-piperidin-4-yl-[1,3]thiazolo[5,4-b]pyridine
SMILESCS(=O)(=O)c1ccc(-c2ccc3nc(C4CCNCC4)sc3n2)cc1
InChIInChI=1S/C18H19N3O2S2/c1-25(22,23)14-4-2-12(3-5-14)15-6-7-16-18(20-15)24-17(21-16)13-8-10-19-11-9-13/h2-7,13,19H,8-11H2,1H3
InChIKeyODLUUBXAZAUNTB-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.23
Rot. Bonds3

About 5-(4-methylsulfonylphenyl)-2-piperidin-4-yl-[1,3]thiazolo[5,4-b]pyridine

5-(4-methylsulfonylphenyl)-2-piperidin-4-yl-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 131985315) has the molecular formula C18H19N3O2S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 5-(4-methylsulfonylphenyl)-2-piperidin-4-yl-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-(4-methylsulfonylphenyl)-2-piperidin-4-yl-[1,3]thiazolo[5,4-b]pyridine
PubChem CID131985315
Molecular FormulaC18H19N3O2S2
Molecular Weight373.50 g/mol
Exact Mass373.09
IUPAC Name5-(4-methylsulfonylphenyl)-2-piperidin-4-yl-[1,3]thiazolo[5,4-b]pyridine
SMILESCS(=O)(=O)c1ccc(-c2ccc3nc(C4CCNCC4)sc3n2)cc1
InChIInChI=1S/C18H19N3O2S2/c1-25(22,23)14-4-2-12(3-5-14)15-6-7-16-18(20-15)24-17(21-16)13-8-10-19-11-9-13/h2-7,13,19H,8-11H2,1H3
InChIKeyODLUUBXAZAUNTB-UHFFFAOYSA-N
XLogP3.23
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfonylphenyl)-2-piperidin-4-yl-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 5-(4-methylsulfonylphenyl)-2-piperidin-4-yl-[1,3]thiazolo[5,4-b]pyridine (CID 131985315) is 5-(4-methylsulfonylphenyl)-2-piperidin-4-yl-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 5-(4-methylsulfonylphenyl)-2-piperidin-4-yl-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 5-(4-methylsulfonylphenyl)-2-piperidin-4-yl-[1,3]thiazolo[5,4-b]pyridine is CS(=O)(=O)c1ccc(-c2ccc3nc(C4CCNCC4)sc3n2)cc1.
What is the InChIKey of 5-(4-methylsulfonylphenyl)-2-piperidin-4-yl-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is ODLUUBXAZAUNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S2/c1-25(22,23)14-4-2-12(3-5-14)15-6-7-16-18(20-15)24-17(21-16)13-8-10-19-11-9-13/h2-7,13,19H,8-11H2,1H3.
What are the key properties of 5-(4-methylsulfonylphenyl)-2-piperidin-4-yl-[1,3]thiazolo[5,4-b]pyridine?
5-(4-methylsulfonylphenyl)-2-piperidin-4-yl-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 373.50 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonylphenyl)-2-piperidin-4-yl-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 131985315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).