4-[6-(3,4,5-trimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]morpholine

C19H21N3O4S — CID 86566715

IUPAC4-[6-(3,4,5-trimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]morpholine
SMILESCOc1cc(-c2cnc3c(N4CCOCC4)snc3c2)cc(OC)c1OC
InChIInChI=1S/C19H21N3O4S/c1-23-15-9-12(10-16(24-2)18(15)25-3)13-8-14-17(20-11-13)19(27-21-14)22-4-6-26-7-5-22/h8-11H,4-7H2,1-3H3
InChIKeyJONPTLGCLPUHKH-UHFFFAOYSA-N
MW387.46 g/mol
LogP3.22
Rot. Bonds5

About 4-[6-(3,4,5-trimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]morpholine

4-[6-(3,4,5-trimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]morpholine (PubChem CID 86566715) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is 4-[6-(3,4,5-trimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]morpholine.

Molecular Properties

Compound Name4-[6-(3,4,5-trimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]morpholine
PubChem CID86566715
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name4-[6-(3,4,5-trimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]morpholine
SMILESCOc1cc(-c2cnc3c(N4CCOCC4)snc3c2)cc(OC)c1OC
InChIInChI=1S/C19H21N3O4S/c1-23-15-9-12(10-16(24-2)18(15)25-3)13-8-14-17(20-11-13)19(27-21-14)22-4-6-26-7-5-22/h8-11H,4-7H2,1-3H3
InChIKeyJONPTLGCLPUHKH-UHFFFAOYSA-N
XLogP3.22
TPSA65.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(3,4,5-trimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]morpholine?
The IUPAC name of 4-[6-(3,4,5-trimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]morpholine (CID 86566715) is 4-[6-(3,4,5-trimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]morpholine.
What is the SMILES notation for 4-[6-(3,4,5-trimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]morpholine?
The canonical SMILES for 4-[6-(3,4,5-trimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]morpholine is COc1cc(-c2cnc3c(N4CCOCC4)snc3c2)cc(OC)c1OC.
What is the InChIKey of 4-[6-(3,4,5-trimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]morpholine?
The InChIKey is JONPTLGCLPUHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-23-15-9-12(10-16(24-2)18(15)25-3)13-8-14-17(20-11-13)19(27-21-14)22-4-6-26-7-5-22/h8-11H,4-7H2,1-3H3.
What are the key properties of 4-[6-(3,4,5-trimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]morpholine?
4-[6-(3,4,5-trimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]morpholine has a molecular weight of 387.46 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3,4,5-trimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]morpholine is sourced from PubChem (CID 86566715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).