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

C18H26N4OS — CID 170947194

IUPACcyclopentyl-[2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
SMILESO=C(C1CCCC1)N1CCc2nc(N3C4CCC3CNC4)sc2C1
InChIInChI=1S/C18H26N4OS/c23-17(12-3-1-2-4-12)21-8-7-15-16(11-21)24-18(20-15)22-13-5-6-14(22)10-19-9-13/h12-14,19H,1-11H2
InChIKeyRKUZBNAZDBUXLF-UHFFFAOYSA-N
MW346.50 g/mol
LogP2.16
Rot. Bonds2

About 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

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 (PubChem CID 170947194) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namecyclopentyl-[2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
PubChem CID170947194
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Namecyclopentyl-[2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
SMILESO=C(C1CCCC1)N1CCc2nc(N3C4CCC3CNC4)sc2C1
InChIInChI=1S/C18H26N4OS/c23-17(12-3-1-2-4-12)21-8-7-15-16(11-21)24-18(20-15)22-13-5-6-14(22)10-19-9-13/h12-14,19H,1-11H2
InChIKeyRKUZBNAZDBUXLF-UHFFFAOYSA-N
XLogP2.16
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(C1CCCC1)N1CCc2nc(N3C4CCC3CNC4)sc2C1.
What is the InChIKey of 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?
The InChIKey is RKUZBNAZDBUXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS/c23-17(12-3-1-2-4-12)21-8-7-15-16(11-21)24-18(20-15)22-13-5-6-14(22)10-19-9-13/h12-14,19H,1-11H2.
What are the key properties of 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?
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 has a molecular weight of 346.50 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170947194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).