1-[4-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperazin-1-yl]ethanone

C20H22N4O3S — CID 127036385

IUPAC1-[4-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperazin-1-yl]ethanone
SMILESCOc1ccc(-c2cnc3c(N4CCN(C(C)=O)CC4)snc3c2)cc1OC
InChIInChI=1S/C20H22N4O3S/c1-13(25)23-6-8-24(9-7-23)20-19-16(22-28-20)10-15(12-21-19)14-4-5-17(26-2)18(11-14)27-3/h4-5,10-12H,6-9H2,1-3H3
InChIKeyQHWSFQUANDMMDO-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.04
Rot. Bonds4

About 1-[4-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperazin-1-yl]ethanone

1-[4-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperazin-1-yl]ethanone (PubChem CID 127036385) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is 1-[4-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperazin-1-yl]ethanone
PubChem CID127036385
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name1-[4-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperazin-1-yl]ethanone
SMILESCOc1ccc(-c2cnc3c(N4CCN(C(C)=O)CC4)snc3c2)cc1OC
InChIInChI=1S/C20H22N4O3S/c1-13(25)23-6-8-24(9-7-23)20-19-16(22-28-20)10-15(12-21-19)14-4-5-17(26-2)18(11-14)27-3/h4-5,10-12H,6-9H2,1-3H3
InChIKeyQHWSFQUANDMMDO-UHFFFAOYSA-N
XLogP3.04
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperazin-1-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 1-[4-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperazin-1-yl]ethanone (CID 127036385) is 1-[4-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperazin-1-yl]ethanone is COc1ccc(-c2cnc3c(N4CCN(C(C)=O)CC4)snc3c2)cc1OC.
What is the InChIKey of 1-[4-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperazin-1-yl]ethanone?
The InChIKey is QHWSFQUANDMMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-13(25)23-6-8-24(9-7-23)20-19-16(22-28-20)10-15(12-21-19)14-4-5-17(26-2)18(11-14)27-3/h4-5,10-12H,6-9H2,1-3H3.
What are the key properties of 1-[4-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperazin-1-yl]ethanone?
1-[4-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperazin-1-yl]ethanone has a molecular weight of 398.49 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 127036385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).