2-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one

C17H16ClN3O3S2 — CID 142611669

IUPAC2-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
SMILESO=c1c2cccnc2sn1-c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C17H16ClN3O3S2/c18-14-7-6-12(21-17(22)13-5-4-8-19-16(13)25-21)11-15(14)26(23,24)20-9-2-1-3-10-20/h4-8,11H,1-3,9-10H2
InChIKeyNMKQVFASWWROEK-UHFFFAOYSA-N
MW409.92 g/mol
LogP3.28
Rot. Bonds3

About 2-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one

2-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one (PubChem CID 142611669) has the molecular formula C17H16ClN3O3S2 and a molecular weight of 409.92 g/mol. Its IUPAC name is 2-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one.

Molecular Properties

Compound Name2-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
PubChem CID142611669
Molecular FormulaC17H16ClN3O3S2
Molecular Weight409.92 g/mol
Exact Mass409.03
IUPAC Name2-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
SMILESO=c1c2cccnc2sn1-c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C17H16ClN3O3S2/c18-14-7-6-12(21-17(22)13-5-4-8-19-16(13)25-21)11-15(14)26(23,24)20-9-2-1-3-10-20/h4-8,11H,1-3,9-10H2
InChIKeyNMKQVFASWWROEK-UHFFFAOYSA-N
XLogP3.28
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one?
The IUPAC name of 2-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one (CID 142611669) is 2-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one.
What is the SMILES notation for 2-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one?
The canonical SMILES for 2-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one is O=c1c2cccnc2sn1-c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 2-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one?
The InChIKey is NMKQVFASWWROEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3S2/c18-14-7-6-12(21-17(22)13-5-4-8-19-16(13)25-21)11-15(14)26(23,24)20-9-2-1-3-10-20/h4-8,11H,1-3,9-10H2.
What are the key properties of 2-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one?
2-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one has a molecular weight of 409.92 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one is sourced from PubChem (CID 142611669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).