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

C18H19N3O2S2 — CID 90468066

IUPAC6-(3,4-dimethoxyphenyl)-3-thiomorpholin-4-yl-[1,2]thiazolo[4,3-b]pyridine
SMILESCOc1ccc(-c2cnc3c(N4CCSCC4)snc3c2)cc1OC
InChIInChI=1S/C18H19N3O2S2/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
InChIKeyGUJGKJXOGPAKDT-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.93
Rot. Bonds4

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

6-(3,4-dimethoxyphenyl)-3-thiomorpholin-4-yl-[1,2]thiazolo[4,3-b]pyridine (PubChem CID 90468066) has the molecular formula C18H19N3O2S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-3-thiomorpholin-4-yl-[1,2]thiazolo[4,3-b]pyridine.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-3-thiomorpholin-4-yl-[1,2]thiazolo[4,3-b]pyridine
PubChem CID90468066
Molecular FormulaC18H19N3O2S2
Molecular Weight373.50 g/mol
Exact Mass373.09
IUPAC Name6-(3,4-dimethoxyphenyl)-3-thiomorpholin-4-yl-[1,2]thiazolo[4,3-b]pyridine
SMILESCOc1ccc(-c2cnc3c(N4CCSCC4)snc3c2)cc1OC
InChIInChI=1S/C18H19N3O2S2/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
InChIKeyGUJGKJXOGPAKDT-UHFFFAOYSA-N
XLogP3.93
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-3-thiomorpholin-4-yl-[1,2]thiazolo[4,3-b]pyridine?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-3-thiomorpholin-4-yl-[1,2]thiazolo[4,3-b]pyridine (CID 90468066) is 6-(3,4-dimethoxyphenyl)-3-thiomorpholin-4-yl-[1,2]thiazolo[4,3-b]pyridine.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-3-thiomorpholin-4-yl-[1,2]thiazolo[4,3-b]pyridine?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-3-thiomorpholin-4-yl-[1,2]thiazolo[4,3-b]pyridine is COc1ccc(-c2cnc3c(N4CCSCC4)snc3c2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-3-thiomorpholin-4-yl-[1,2]thiazolo[4,3-b]pyridine?
The InChIKey is GUJGKJXOGPAKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S2/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 6-(3,4-dimethoxyphenyl)-3-thiomorpholin-4-yl-[1,2]thiazolo[4,3-b]pyridine?
6-(3,4-dimethoxyphenyl)-3-thiomorpholin-4-yl-[1,2]thiazolo[4,3-b]pyridine has a molecular weight of 373.50 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-3-thiomorpholin-4-yl-[1,2]thiazolo[4,3-b]pyridine is sourced from PubChem (CID 90468066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).