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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

C20H24N4OS — CID 170947171

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[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
SMILESO=C(Cc1ccccc1)N1CCc2nc(N3C4CCC3CNC4)sc2C1
InChIInChI=1S/C20H24N4OS/c25-19(10-14-4-2-1-3-5-14)23-9-8-17-18(13-23)26-20(22-17)24-15-6-7-16(24)12-21-11-15/h1-5,15-16,21H,6-13H2
InChIKeyLKZVYVMYZXJJOK-UHFFFAOYSA-N
MW368.51 g/mol
LogP2.21
Rot. Bonds3

About 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

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 (PubChem CID 170947171) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID170947171
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC Name1-[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
SMILESO=C(Cc1ccccc1)N1CCc2nc(N3C4CCC3CNC4)sc2C1
InChIInChI=1S/C20H24N4OS/c25-19(10-14-4-2-1-3-5-14)23-9-8-17-18(13-23)26-20(22-17)24-15-6-7-16(24)12-21-11-15/h1-5,15-16,21H,6-13H2
InChIKeyLKZVYVMYZXJJOK-UHFFFAOYSA-N
XLogP2.21
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(Cc1ccccc1)N1CCc2nc(N3C4CCC3CNC4)sc2C1.
What is the InChIKey of 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?
The InChIKey is LKZVYVMYZXJJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c25-19(10-14-4-2-1-3-5-14)23-9-8-17-18(13-23)26-20(22-17)24-15-6-7-16(24)12-21-11-15/h1-5,15-16,21H,6-13H2.
What are the key properties of 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?
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 has a molecular weight of 368.51 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170947171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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