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

C20H30N4O2S — CID 170947516

IUPAC2-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
SMILESCC(O)(C(=O)N1CCc2nc(N3C4CCC3CNC4)sc2C1)C1CCCC1
InChIInChI=1S/C20H30N4O2S/c1-20(26,13-4-2-3-5-13)18(25)23-9-8-16-17(12-23)27-19(22-16)24-14-6-7-15(24)11-21-10-14/h13-15,21,26H,2-12H2,1H3
InChIKeyQQORLTAOSBPCIT-UHFFFAOYSA-N
MW390.55 g/mol
LogP1.91
Rot. Bonds3

About 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

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 (PubChem CID 170947516) has the molecular formula C20H30N4O2S and a molecular weight of 390.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID170947516
Molecular FormulaC20H30N4O2S
Molecular Weight390.55 g/mol
Exact Mass390.21
IUPAC Name2-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
SMILESCC(O)(C(=O)N1CCc2nc(N3C4CCC3CNC4)sc2C1)C1CCCC1
InChIInChI=1S/C20H30N4O2S/c1-20(26,13-4-2-3-5-13)18(25)23-9-8-16-17(12-23)27-19(22-16)24-14-6-7-15(24)11-21-10-14/h13-15,21,26H,2-12H2,1H3
InChIKeyQQORLTAOSBPCIT-UHFFFAOYSA-N
XLogP1.91
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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-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
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
[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
(4-chlorophenyl)-[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 170947397
[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
[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
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
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
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
tert-butyl 7-[tert-butyl(dimethyl)silyl]oxy-9-[5-(2-cyclopentylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3,9-diazabicyclo[3.3.1]nonane-3-carboxylate
CID 170947377
tert-butyl 8-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboxylate
CID 170947615

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(O)(C(=O)N1CCc2nc(N3C4CCC3CNC4)sc2C1)C1CCCC1.
What is the InChIKey of 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?
The InChIKey is QQORLTAOSBPCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2S/c1-20(26,13-4-2-3-5-13)18(25)23-9-8-16-17(12-23)27-19(22-16)24-14-6-7-15(24)11-21-10-14/h13-15,21,26H,2-12H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 390.55 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170947516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).