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

C19H22N2O3S — CID 127037057

IUPAC6-(3,4-dimethoxyphenyl)-3-(3-methylbutoxy)-[1,2]thiazolo[4,3-b]pyridine
SMILESCOc1ccc(-c2cnc3c(OCCC(C)C)snc3c2)cc1OC
InChIInChI=1S/C19H22N2O3S/c1-12(2)7-8-24-19-18-15(21-25-19)9-14(11-20-18)13-5-6-16(22-3)17(10-13)23-4/h5-6,9-12H,7-8H2,1-4H3
InChIKeyXCJBLMCWYVBSRF-UHFFFAOYSA-N
MW358.46 g/mol
LogP4.80
Rot. Bonds7

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

6-(3,4-dimethoxyphenyl)-3-(3-methylbutoxy)-[1,2]thiazolo[4,3-b]pyridine (PubChem CID 127037057) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-3-(3-methylbutoxy)-[1,2]thiazolo[4,3-b]pyridine.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-3-(3-methylbutoxy)-[1,2]thiazolo[4,3-b]pyridine
PubChem CID127037057
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name6-(3,4-dimethoxyphenyl)-3-(3-methylbutoxy)-[1,2]thiazolo[4,3-b]pyridine
SMILESCOc1ccc(-c2cnc3c(OCCC(C)C)snc3c2)cc1OC
InChIInChI=1S/C19H22N2O3S/c1-12(2)7-8-24-19-18-15(21-25-19)9-14(11-20-18)13-5-6-16(22-3)17(10-13)23-4/h5-6,9-12H,7-8H2,1-4H3
InChIKeyXCJBLMCWYVBSRF-UHFFFAOYSA-N
XLogP4.80
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-3-(3-methylbutoxy)-[1,2]thiazolo[4,3-b]pyridine?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-3-(3-methylbutoxy)-[1,2]thiazolo[4,3-b]pyridine (CID 127037057) is 6-(3,4-dimethoxyphenyl)-3-(3-methylbutoxy)-[1,2]thiazolo[4,3-b]pyridine.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-3-(3-methylbutoxy)-[1,2]thiazolo[4,3-b]pyridine?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-3-(3-methylbutoxy)-[1,2]thiazolo[4,3-b]pyridine is COc1ccc(-c2cnc3c(OCCC(C)C)snc3c2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-3-(3-methylbutoxy)-[1,2]thiazolo[4,3-b]pyridine?
The InChIKey is XCJBLMCWYVBSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-12(2)7-8-24-19-18-15(21-25-19)9-14(11-20-18)13-5-6-16(22-3)17(10-13)23-4/h5-6,9-12H,7-8H2,1-4H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)-3-(3-methylbutoxy)-[1,2]thiazolo[4,3-b]pyridine?
6-(3,4-dimethoxyphenyl)-3-(3-methylbutoxy)-[1,2]thiazolo[4,3-b]pyridine has a molecular weight of 358.46 g/mol, XLogP of 4.80, 7 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-(3-methylbutoxy)-[1,2]thiazolo[4,3-b]pyridine is sourced from PubChem (CID 127037057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).