[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

C21H26N4O2S — CID 170947252

IUPAC[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
SMILESCOCc1ccccc1C(=O)N1CCc2nc(N3C4CCC3CNC4)sc2C1
InChIInChI=1S/C21H26N4O2S/c1-27-13-14-4-2-3-5-17(14)20(26)24-9-8-18-19(12-24)28-21(23-18)25-15-6-7-16(25)11-22-10-15/h2-5,15-16,22H,6-13H2,1H3
InChIKeyLQGDTYMFJAABLT-UHFFFAOYSA-N
MW398.53 g/mol
LogP2.43
Rot. Bonds4

About [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

[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 (PubChem CID 170947252) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID170947252
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC Name[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
SMILESCOCc1ccccc1C(=O)N1CCc2nc(N3C4CCC3CNC4)sc2C1
InChIInChI=1S/C21H26N4O2S/c1-27-13-14-4-2-3-5-17(14)20(26)24-9-8-18-19(12-24)28-21(23-18)25-15-6-7-16(25)11-22-10-15/h2-5,15-16,22H,6-13H2,1H3
InChIKeyLQGDTYMFJAABLT-UHFFFAOYSA-N
XLogP2.43
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [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 with MolForge

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Related Compounds

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
(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
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
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
[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-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
[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
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
methyl 5-(2-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate
CID 66609439
methyl N-[5-(2-methylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528814
1-[2-(methoxymethyl)benzoyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 60600032

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is COCc1ccccc1C(=O)N1CCc2nc(N3C4CCC3CNC4)sc2C1.
What is the InChIKey of [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?
The InChIKey is LQGDTYMFJAABLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c1-27-13-14-4-2-3-5-17(14)20(26)24-9-8-18-19(12-24)28-21(23-18)25-15-6-7-16(25)11-22-10-15/h2-5,15-16,22H,6-13H2,1H3.
What are the key properties of [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?
[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 has a molecular weight of 398.53 g/mol, XLogP of 2.43, 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)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-[2-(methoxymethyl)phenyl]methanone is sourced from PubChem (CID 170947252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).