6-(3,4-dimethoxyphenyl)-3-pyrrolidin-1-yl-[1,2]thiazolo[4,3-b]pyridine

C18H19N3O2S — CID 90466048

IUPAC6-(3,4-dimethoxyphenyl)-3-pyrrolidin-1-yl-[1,2]thiazolo[4,3-b]pyridine
SMILESCOc1ccc(-c2cnc3c(N4CCCC4)snc3c2)cc1OC
InChIInChI=1S/C18H19N3O2S/c1-22-15-6-5-12(10-16(15)23-2)13-9-14-17(19-11-13)18(24-20-14)21-7-3-4-8-21/h5-6,9-11H,3-4,7-8H2,1-2H3
InChIKeyGWCVIFCEWZTPNP-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.98
Rot. Bonds4

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

6-(3,4-dimethoxyphenyl)-3-pyrrolidin-1-yl-[1,2]thiazolo[4,3-b]pyridine (PubChem CID 90466048) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-3-pyrrolidin-1-yl-[1,2]thiazolo[4,3-b]pyridine.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-3-pyrrolidin-1-yl-[1,2]thiazolo[4,3-b]pyridine
PubChem CID90466048
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name6-(3,4-dimethoxyphenyl)-3-pyrrolidin-1-yl-[1,2]thiazolo[4,3-b]pyridine
SMILESCOc1ccc(-c2cnc3c(N4CCCC4)snc3c2)cc1OC
InChIInChI=1S/C18H19N3O2S/c1-22-15-6-5-12(10-16(15)23-2)13-9-14-17(19-11-13)18(24-20-14)21-7-3-4-8-21/h5-6,9-11H,3-4,7-8H2,1-2H3
InChIKeyGWCVIFCEWZTPNP-UHFFFAOYSA-N
XLogP3.98
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-Methoxy-4-[3-(Morpholin-4-Yl)[1,2]thiazolo[4,3-B]pyridin-6-Yl]aniline
CID 90467922
4-[6-(3,4,5-Trimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]morpholine
CID 86566715
1-(6-(3,4-Dimethoxyphenyl)isothiazolo[4,3-b]pyridin-3-yl)piperidin-4-ol
CID 90465894
6-(3,4-dimethoxyphenyl)-N-(tetrahydro-2H-pyran-4-yl)isothiazolo[4,3-b]pyridin-3-amine
CID 90466044
2,2'-(6-(3,4-Dimethoxyphenyl)isothiazolo[4,3-b]pyridin-3-ylazanediyl)diethanol
CID 90466045
6-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)isothiazolo[4,3-b]pyridin-3-amine
CID 90466190
N-(cyclopropylmethyl)-6-(3,4-dimethoxyphenyl)isothiazolo[4,3-b]pyridin-3-amine
CID 90466191
6-(3,4-dimethoxyphenyl)-N,N-dimethyl-[1,2]thiazolo[4,3-b]pyridin-3-amine
CID 90466192
(2R,6S)-4-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]-2,6-dimethylmorpholine
CID 90466194
6-(3,4-Dimethoxyphenyl)-3-phenyl-[1,2]thiazolo[4,3-b]pyridine
CID 90466196
6-(3,4-Dimethoxyphenyl)-3-pyridin-4-yl-[1,2]thiazolo[4,3-b]pyridine
CID 90466336
6-(3,4-Dimethoxyphenyl)-3-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridine
CID 90466337

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-3-pyrrolidin-1-yl-[1,2]thiazolo[4,3-b]pyridine?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-3-pyrrolidin-1-yl-[1,2]thiazolo[4,3-b]pyridine (CID 90466048) is 6-(3,4-dimethoxyphenyl)-3-pyrrolidin-1-yl-[1,2]thiazolo[4,3-b]pyridine.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-3-pyrrolidin-1-yl-[1,2]thiazolo[4,3-b]pyridine?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-3-pyrrolidin-1-yl-[1,2]thiazolo[4,3-b]pyridine is COc1ccc(-c2cnc3c(N4CCCC4)snc3c2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-3-pyrrolidin-1-yl-[1,2]thiazolo[4,3-b]pyridine?
The InChIKey is GWCVIFCEWZTPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-22-15-6-5-12(10-16(15)23-2)13-9-14-17(19-11-13)18(24-20-14)21-7-3-4-8-21/h5-6,9-11H,3-4,7-8H2,1-2H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)-3-pyrrolidin-1-yl-[1,2]thiazolo[4,3-b]pyridine?
6-(3,4-dimethoxyphenyl)-3-pyrrolidin-1-yl-[1,2]thiazolo[4,3-b]pyridine has a molecular weight of 341.44 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-3-pyrrolidin-1-yl-[1,2]thiazolo[4,3-b]pyridine is sourced from PubChem (CID 90466048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).