5-benzylsulfonyl-2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

C19H24N4O2S2 — CID 170947442

IUPAC5-benzylsulfonyl-2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESO=S(=O)(Cc1ccccc1)N1CCc2nc(N3C4CCC3CNC4)sc2C1
InChIInChI=1S/C19H24N4O2S2/c24-27(25,13-14-4-2-1-3-5-14)22-9-8-17-18(12-22)26-19(21-17)23-15-6-7-16(23)11-20-10-15/h1-5,15-16,20H,6-13H2
InChIKeyIUIOHEJMZHOCED-UHFFFAOYSA-N
MW404.56 g/mol
LogP1.97
Rot. Bonds4

About 5-benzylsulfonyl-2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

5-benzylsulfonyl-2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 170947442) has the molecular formula C19H24N4O2S2 and a molecular weight of 404.56 g/mol. Its IUPAC name is 5-benzylsulfonyl-2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name5-benzylsulfonyl-2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
PubChem CID170947442
Molecular FormulaC19H24N4O2S2
Molecular Weight404.56 g/mol
Exact Mass404.13
IUPAC Name5-benzylsulfonyl-2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESO=S(=O)(Cc1ccccc1)N1CCc2nc(N3C4CCC3CNC4)sc2C1
InChIInChI=1S/C19H24N4O2S2/c24-27(25,13-14-4-2-1-3-5-14)22-9-8-17-18(12-22)26-19(21-17)23-15-6-7-16(23)11-20-10-15/h1-5,15-16,20H,6-13H2
InChIKeyIUIOHEJMZHOCED-UHFFFAOYSA-N
XLogP1.97
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-benzylsulfonyl-2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine with MolForge

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Related Compounds

2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-5-[(4-fluorophenyl)methylsulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 170947170
1-[2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-2-phenylethanone
CID 170947171
benzyl 8-[5-(cyclopentylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate
CID 170947173
[2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-[2-(methoxymethyl)phenyl]methanone
CID 170947252
cyclopentyl-[2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
CID 170947194
[2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 170947479
1-[2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-2-(2-propan-2-yloxyphenoxy)ethanone
CID 170947351
N-(2-aminophenyl)-5-benzylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 25231103
N-(5-benzylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazine-2-carboxamide
CID 90527723
2-cyclopentyloxy-1-[2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone
CID 170947553
2-cyclopentyl-1-[2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-2-hydroxypropan-1-one
CID 170947516
N-[5-[(3-fluorophenyl)methylsulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
CID 71788005

Frequently Asked Questions

What is the IUPAC name of 5-benzylsulfonyl-2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 5-benzylsulfonyl-2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (CID 170947442) is 5-benzylsulfonyl-2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 5-benzylsulfonyl-2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 5-benzylsulfonyl-2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is O=S(=O)(Cc1ccccc1)N1CCc2nc(N3C4CCC3CNC4)sc2C1.
What is the InChIKey of 5-benzylsulfonyl-2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is IUIOHEJMZHOCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S2/c24-27(25,13-14-4-2-1-3-5-14)22-9-8-17-18(12-22)26-19(21-17)23-15-6-7-16(23)11-20-10-15/h1-5,15-16,20H,6-13H2.
What are the key properties of 5-benzylsulfonyl-2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
5-benzylsulfonyl-2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 404.56 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylsulfonyl-2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 170947442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).