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

C17H17N3O3S2 — CID 142611659

IUPAC2-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
SMILESCc1ccc(-n2sc3ncccc3c2=O)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C17H17N3O3S2/c1-12-6-7-13(11-15(12)25(22,23)19-9-2-3-10-19)20-17(21)14-5-4-8-18-16(14)24-20/h4-8,11H,2-3,9-10H2,1H3
InChIKeySFVDKRIIGVKUTH-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.54
Rot. Bonds3

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

2-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one (PubChem CID 142611659) has the molecular formula C17H17N3O3S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is 2-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one.

Molecular Properties

Compound Name2-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
PubChem CID142611659
Molecular FormulaC17H17N3O3S2
Molecular Weight375.48 g/mol
Exact Mass375.07
IUPAC Name2-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
SMILESCc1ccc(-n2sc3ncccc3c2=O)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C17H17N3O3S2/c1-12-6-7-13(11-15(12)25(22,23)19-9-2-3-10-19)20-17(21)14-5-4-8-18-16(14)24-20/h4-8,11H,2-3,9-10H2,1H3
InChIKeySFVDKRIIGVKUTH-UHFFFAOYSA-N
XLogP2.54
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one with MolForge

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Related Compounds

2-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
CID 142611669
1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-4-pyrrolidin-1-ylsulfonylpyrazole
CID 71875967
2-(3-chlorophenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
CID 10400502
1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidine
CID 646959
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)quinoline-5-carboxamide
CID 32739299
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 22108544
1-(5-bromo-2-methylphenyl)sulfonylazepane
CID 876435
2-fluoro-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
CID 155781281
2-cyclopropyl-5-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole
CID 20959137
2-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3H-quinazolin-4-one
CID 135413659
1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)ethanamine
CID 82026814
8-tert-butyl-5-piperidin-1-ylsulfonylquinoline;methane
CID 159706834

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one?
The IUPAC name of 2-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one (CID 142611659) is 2-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one.
What is the SMILES notation for 2-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one?
The canonical SMILES for 2-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one is Cc1ccc(-n2sc3ncccc3c2=O)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 2-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one?
The InChIKey is SFVDKRIIGVKUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S2/c1-12-6-7-13(11-15(12)25(22,23)19-9-2-3-10-19)20-17(21)14-5-4-8-18-16(14)24-20/h4-8,11H,2-3,9-10H2,1H3.
What are the key properties of 2-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one?
2-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one has a molecular weight of 375.48 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one is sourced from PubChem (CID 142611659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).