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

C20H23N3O3S — CID 90466194

IUPAC(2R,6S)-4-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]-2,6-dimethylmorpholine
SMILESCOc1ccc(-c2cnc3c(N4C[C@@H](C)O[C@@H](C)C4)snc3c2)cc1OC
InChIInChI=1S/C20H23N3O3S/c1-12-10-23(11-13(2)26-12)20-19-16(22-27-20)7-15(9-21-19)14-5-6-17(24-3)18(8-14)25-4/h5-9,12-13H,10-11H2,1-4H3/t12-,13+
InChIKeyRWENLZLFKSNOTC-BETUJISGSA-N
MW385.49 g/mol
LogP3.99
Rot. Bonds4

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

(2R,6S)-4-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]-2,6-dimethylmorpholine (PubChem CID 90466194) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is (2R,6S)-4-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]-2,6-dimethylmorpholine
PubChem CID90466194
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name(2R,6S)-4-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]-2,6-dimethylmorpholine
SMILESCOc1ccc(-c2cnc3c(N4C[C@@H](C)O[C@@H](C)C4)snc3c2)cc1OC
InChIInChI=1S/C20H23N3O3S/c1-12-10-23(11-13(2)26-12)20-19-16(22-27-20)7-15(9-21-19)14-5-6-17(24-3)18(8-14)25-4/h5-9,12-13H,10-11H2,1-4H3/t12-,13+
InChIKeyRWENLZLFKSNOTC-BETUJISGSA-N
XLogP3.99
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]-2,6-dimethylmorpholine?
The IUPAC name of (2R,6S)-4-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]-2,6-dimethylmorpholine (CID 90466194) is (2R,6S)-4-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6S)-4-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6S)-4-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]-2,6-dimethylmorpholine is COc1ccc(-c2cnc3c(N4C[C@@H](C)O[C@@H](C)C4)snc3c2)cc1OC.
What is the InChIKey of (2R,6S)-4-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]-2,6-dimethylmorpholine?
The InChIKey is RWENLZLFKSNOTC-BETUJISGSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-12-10-23(11-13(2)26-12)20-19-16(22-27-20)7-15(9-21-19)14-5-6-17(24-3)18(8-14)25-4/h5-9,12-13H,10-11H2,1-4H3/t12-,13+.
What are the key properties of (2R,6S)-4-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]-2,6-dimethylmorpholine?
(2R,6S)-4-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]-2,6-dimethylmorpholine has a molecular weight of 385.49 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]-2,6-dimethylmorpholine is sourced from PubChem (CID 90466194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).