7-(2,3-dimethoxyphenyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one

C19H23N3O3S — CID 45493782

IUPAC7-(2,3-dimethoxyphenyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCOc1cccc(C2CC(=O)Nc3nc(N4CCCCC4)sc32)c1OC
InChIInChI=1S/C19H23N3O3S/c1-24-14-8-6-7-12(16(14)25-2)13-11-15(23)20-18-17(13)26-19(21-18)22-9-4-3-5-10-22/h6-8,13H,3-5,9-11H2,1-2H3,(H,20,23)
InChIKeyWYAKDISWCAWWCM-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.62
Rot. Bonds4

About 7-(2,3-dimethoxyphenyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one

7-(2,3-dimethoxyphenyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (PubChem CID 45493782) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 7-(2,3-dimethoxyphenyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name7-(2,3-dimethoxyphenyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
PubChem CID45493782
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name7-(2,3-dimethoxyphenyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCOc1cccc(C2CC(=O)Nc3nc(N4CCCCC4)sc32)c1OC
InChIInChI=1S/C19H23N3O3S/c1-24-14-8-6-7-12(16(14)25-2)13-11-15(23)20-18-17(13)26-19(21-18)22-9-4-3-5-10-22/h6-8,13H,3-5,9-11H2,1-2H3,(H,20,23)
InChIKeyWYAKDISWCAWWCM-UHFFFAOYSA-N
XLogP3.62
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(2,3-dimethoxyphenyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one 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 7-(2,3-dimethoxyphenyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The IUPAC name of 7-(2,3-dimethoxyphenyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (CID 45493782) is 7-(2,3-dimethoxyphenyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for 7-(2,3-dimethoxyphenyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The canonical SMILES for 7-(2,3-dimethoxyphenyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is COc1cccc(C2CC(=O)Nc3nc(N4CCCCC4)sc32)c1OC.
What is the InChIKey of 7-(2,3-dimethoxyphenyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The InChIKey is WYAKDISWCAWWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-24-14-8-6-7-12(16(14)25-2)13-11-15(23)20-18-17(13)26-19(21-18)22-9-4-3-5-10-22/h6-8,13H,3-5,9-11H2,1-2H3,(H,20,23).
What are the key properties of 7-(2,3-dimethoxyphenyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
7-(2,3-dimethoxyphenyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one has a molecular weight of 373.48 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dimethoxyphenyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 45493782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).