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

C20H16N2O2S — CID 90466196

IUPAC6-(3,4-dimethoxyphenyl)-3-phenyl-[1,2]thiazolo[4,3-b]pyridine
SMILESCOc1ccc(-c2cnc3c(-c4ccccc4)snc3c2)cc1OC
InChIInChI=1S/C20H16N2O2S/c1-23-17-9-8-14(11-18(17)24-2)15-10-16-19(21-12-15)20(25-22-16)13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKeyZWFWTFGQYJINLL-UHFFFAOYSA-N
MW348.43 g/mol
LogP5.04
Rot. Bonds4

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

6-(3,4-dimethoxyphenyl)-3-phenyl-[1,2]thiazolo[4,3-b]pyridine (PubChem CID 90466196) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-3-phenyl-[1,2]thiazolo[4,3-b]pyridine.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-3-phenyl-[1,2]thiazolo[4,3-b]pyridine
PubChem CID90466196
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC Name6-(3,4-dimethoxyphenyl)-3-phenyl-[1,2]thiazolo[4,3-b]pyridine
SMILESCOc1ccc(-c2cnc3c(-c4ccccc4)snc3c2)cc1OC
InChIInChI=1S/C20H16N2O2S/c1-23-17-9-8-14(11-18(17)24-2)15-10-16-19(21-12-15)20(25-22-16)13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKeyZWFWTFGQYJINLL-UHFFFAOYSA-N
XLogP5.04
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.43
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-3-phenyl-[1,2]thiazolo[4,3-b]pyridine?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-3-phenyl-[1,2]thiazolo[4,3-b]pyridine (CID 90466196) is 6-(3,4-dimethoxyphenyl)-3-phenyl-[1,2]thiazolo[4,3-b]pyridine.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-3-phenyl-[1,2]thiazolo[4,3-b]pyridine?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-3-phenyl-[1,2]thiazolo[4,3-b]pyridine is COc1ccc(-c2cnc3c(-c4ccccc4)snc3c2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-3-phenyl-[1,2]thiazolo[4,3-b]pyridine?
The InChIKey is ZWFWTFGQYJINLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c1-23-17-9-8-14(11-18(17)24-2)15-10-16-19(21-12-15)20(25-22-16)13-6-4-3-5-7-13/h3-12H,1-2H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)-3-phenyl-[1,2]thiazolo[4,3-b]pyridine?
6-(3,4-dimethoxyphenyl)-3-phenyl-[1,2]thiazolo[4,3-b]pyridine has a molecular weight of 348.43 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-3-phenyl-[1,2]thiazolo[4,3-b]pyridine is sourced from PubChem (CID 90466196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).