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

C19H23FN4O2S2 — CID 170947170

IUPAC2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-5-[(4-fluorophenyl)methylsulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESO=S(=O)(Cc1ccc(F)cc1)N1CCc2nc(N3C4CCC3CNC4)sc2C1
InChIInChI=1S/C19H23FN4O2S2/c20-14-3-1-13(2-4-14)12-28(25,26)23-8-7-17-18(11-23)27-19(22-17)24-15-5-6-16(24)10-21-9-15/h1-4,15-16,21H,5-12H2
InChIKeyMTMBCGNIUMTIQY-UHFFFAOYSA-N
MW422.55 g/mol
LogP2.11
Rot. Bonds4

About 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

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 (PubChem CID 170947170) has the molecular formula C19H23FN4O2S2 and a molecular weight of 422.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-5-[(4-fluorophenyl)methylsulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
PubChem CID170947170
Molecular FormulaC19H23FN4O2S2
Molecular Weight422.55 g/mol
Exact Mass422.12
IUPAC Name2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-5-[(4-fluorophenyl)methylsulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESO=S(=O)(Cc1ccc(F)cc1)N1CCc2nc(N3C4CCC3CNC4)sc2C1
InChIInChI=1S/C19H23FN4O2S2/c20-14-3-1-13(2-4-14)12-28(25,26)23-8-7-17-18(11-23)27-19(22-17)24-15-5-6-16(24)10-21-9-15/h1-4,15-16,21H,5-12H2
InChIKeyMTMBCGNIUMTIQY-UHFFFAOYSA-N
XLogP2.11
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
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
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
N-[5-[(3-fluorophenyl)methylsulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
CID 71788005
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
[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
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-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
9-[(4-fluorophenyl)methylsulfonyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 120719310
[2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(3,3-dimethylcyclopentyl)methanone
CID 170947441
1-[(4-fluorophenyl)methyl]-3-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
CID 90531014
1-[(4-fluorophenyl)methylsulfonyl]-4-piperidin-1-ylpiperidine
CID 110868518

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=S(=O)(Cc1ccc(F)cc1)N1CCc2nc(N3C4CCC3CNC4)sc2C1.
What is the InChIKey of 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?
The InChIKey is MTMBCGNIUMTIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2S2/c20-14-3-1-13(2-4-14)12-28(25,26)23-8-7-17-18(11-23)27-19(22-17)24-15-5-6-16(24)10-21-9-15/h1-4,15-16,21H,5-12H2.
What are the key properties of 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?
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 has a molecular weight of 422.55 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170947170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).