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

C18H19N3O3S — CID 90467500

IUPAC4-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]morpholine
SMILESCOc1ccc(-c2cnc3c(N4CCOCC4)snc3c2)cc1OC
InChIInChI=1S/C18H19N3O3S/c1-22-15-4-3-12(10-16(15)23-2)13-9-14-17(19-11-13)18(25-20-14)21-5-7-24-8-6-21/h3-4,9-11H,5-8H2,1-2H3
InChIKeyLCSIESIOMOMQNH-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.21
Rot. Bonds4

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

4-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]morpholine (PubChem CID 90467500) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 4-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]morpholine.

Molecular Properties

Compound Name4-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]morpholine
PubChem CID90467500
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name4-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]morpholine
SMILESCOc1ccc(-c2cnc3c(N4CCOCC4)snc3c2)cc1OC
InChIInChI=1S/C18H19N3O3S/c1-22-15-4-3-12(10-16(15)23-2)13-9-14-17(19-11-13)18(25-20-14)21-5-7-24-8-6-21/h3-4,9-11H,5-8H2,1-2H3
InChIKeyLCSIESIOMOMQNH-UHFFFAOYSA-N
XLogP3.21
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]morpholine?
The IUPAC name of 4-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]morpholine (CID 90467500) is 4-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]morpholine.
What is the SMILES notation for 4-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]morpholine?
The canonical SMILES for 4-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]morpholine is COc1ccc(-c2cnc3c(N4CCOCC4)snc3c2)cc1OC.
What is the InChIKey of 4-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]morpholine?
The InChIKey is LCSIESIOMOMQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-22-15-4-3-12(10-16(15)23-2)13-9-14-17(19-11-13)18(25-20-14)21-5-7-24-8-6-21/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of 4-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]morpholine?
4-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]morpholine has a molecular weight of 357.44 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]morpholine is sourced from PubChem (CID 90467500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).