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

C19H28N4O2S — CID 170947553

IUPAC2-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
SMILESO=C(COC1CCCC1)N1CCc2nc(N3C4CCC3CNC4)sc2C1
InChIInChI=1S/C19H28N4O2S/c24-18(12-25-15-3-1-2-4-15)22-8-7-16-17(11-22)26-19(21-16)23-13-5-6-14(23)10-20-9-13/h13-15,20H,1-12H2
InChIKeyZSTCXCVTYMTCML-UHFFFAOYSA-N
MW376.53 g/mol
LogP1.93
Rot. Bonds4

About 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

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 (PubChem CID 170947553) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID170947553
Molecular FormulaC19H28N4O2S
Molecular Weight376.53 g/mol
Exact Mass376.19
IUPAC Name2-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
SMILESO=C(COC1CCCC1)N1CCc2nc(N3C4CCC3CNC4)sc2C1
InChIInChI=1S/C19H28N4O2S/c24-18(12-25-15-3-1-2-4-15)22-8-7-16-17(11-22)26-19(21-16)23-13-5-6-14(23)10-20-9-13/h13-15,20H,1-12H2
InChIKeyZSTCXCVTYMTCML-UHFFFAOYSA-N
XLogP1.93
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(COC1CCCC1)N1CCc2nc(N3C4CCC3CNC4)sc2C1.
What is the InChIKey of 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?
The InChIKey is ZSTCXCVTYMTCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2S/c24-18(12-25-15-3-1-2-4-15)22-8-7-16-17(11-22)26-19(21-16)23-13-5-6-14(23)10-20-9-13/h13-15,20H,1-12H2.
What are the key properties of 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?
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 has a molecular weight of 376.53 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170947553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).