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

C19H21N3O3S — CID 90466044

IUPAC6-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)-[1,2]thiazolo[4,3-b]pyridin-3-amine
SMILESCOc1ccc(-c2cnc3c(NC4CCOCC4)snc3c2)cc1OC
InChIInChI=1S/C19H21N3O3S/c1-23-16-4-3-12(10-17(16)24-2)13-9-15-18(20-11-13)19(26-22-15)21-14-5-7-25-8-6-14/h3-4,9-11,14,21H,5-8H2,1-2H3
InChIKeyOMNMZVHDICQQMO-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.97
Rot. Bonds5

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

6-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)-[1,2]thiazolo[4,3-b]pyridin-3-amine (PubChem CID 90466044) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)-[1,2]thiazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)-[1,2]thiazolo[4,3-b]pyridin-3-amine
PubChem CID90466044
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name6-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)-[1,2]thiazolo[4,3-b]pyridin-3-amine
SMILESCOc1ccc(-c2cnc3c(NC4CCOCC4)snc3c2)cc1OC
InChIInChI=1S/C19H21N3O3S/c1-23-16-4-3-12(10-17(16)24-2)13-9-15-18(20-11-13)19(26-22-15)21-14-5-7-25-8-6-14/h3-4,9-11,14,21H,5-8H2,1-2H3
InChIKeyOMNMZVHDICQQMO-UHFFFAOYSA-N
XLogP3.97
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)-[1,2]thiazolo[4,3-b]pyridin-3-amine?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)-[1,2]thiazolo[4,3-b]pyridin-3-amine (CID 90466044) is 6-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)-[1,2]thiazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)-[1,2]thiazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)-[1,2]thiazolo[4,3-b]pyridin-3-amine is COc1ccc(-c2cnc3c(NC4CCOCC4)snc3c2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)-[1,2]thiazolo[4,3-b]pyridin-3-amine?
The InChIKey is OMNMZVHDICQQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-23-16-4-3-12(10-17(16)24-2)13-9-15-18(20-11-13)19(26-22-15)21-14-5-7-25-8-6-14/h3-4,9-11,14,21H,5-8H2,1-2H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)-[1,2]thiazolo[4,3-b]pyridin-3-amine?
6-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)-[1,2]thiazolo[4,3-b]pyridin-3-amine has a molecular weight of 371.46 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)-[1,2]thiazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 90466044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).