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

C18H20N2O3S — CID 122205418

IUPAC3-butoxy-6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridine
SMILESCCCCOc1snc2cc(-c3ccc(OC)c(OC)c3)cnc12
InChIInChI=1S/C18H20N2O3S/c1-4-5-8-23-18-17-14(20-24-18)9-13(11-19-17)12-6-7-15(21-2)16(10-12)22-3/h6-7,9-11H,4-5,8H2,1-3H3
InChIKeyGBOAEGAXXFQQDL-UHFFFAOYSA-N
MW344.44 g/mol
LogP4.55
Rot. Bonds7

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

3-butoxy-6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridine (PubChem CID 122205418) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 3-butoxy-6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-butoxy-6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridine
PubChem CID122205418
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name3-butoxy-6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridine
SMILESCCCCOc1snc2cc(-c3ccc(OC)c(OC)c3)cnc12
InChIInChI=1S/C18H20N2O3S/c1-4-5-8-23-18-17-14(20-24-18)9-13(11-19-17)12-6-7-15(21-2)16(10-12)22-3/h6-7,9-11H,4-5,8H2,1-3H3
InChIKeyGBOAEGAXXFQQDL-UHFFFAOYSA-N
XLogP4.55
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-butoxy-6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridine?
The IUPAC name of 3-butoxy-6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridine (CID 122205418) is 3-butoxy-6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridine.
What is the SMILES notation for 3-butoxy-6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridine?
The canonical SMILES for 3-butoxy-6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridine is CCCCOc1snc2cc(-c3ccc(OC)c(OC)c3)cnc12.
What is the InChIKey of 3-butoxy-6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridine?
The InChIKey is GBOAEGAXXFQQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-4-5-8-23-18-17-14(20-24-18)9-13(11-19-17)12-6-7-15(21-2)16(10-12)22-3/h6-7,9-11H,4-5,8H2,1-3H3.
What are the key properties of 3-butoxy-6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridine?
3-butoxy-6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridine has a molecular weight of 344.44 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridine is sourced from PubChem (CID 122205418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).