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

C20H22N2O3S — CID 127037058

IUPAC3-cyclohexyloxy-6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridine
SMILESCOc1ccc(-c2cnc3c(OC4CCCCC4)snc3c2)cc1OC
InChIInChI=1S/C20H22N2O3S/c1-23-17-9-8-13(11-18(17)24-2)14-10-16-19(21-12-14)20(26-22-16)25-15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3
InChIKeyYQVOITPHANWYQT-UHFFFAOYSA-N
MW370.47 g/mol
LogP5.09
Rot. Bonds5

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

3-cyclohexyloxy-6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridine (PubChem CID 127037058) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 3-cyclohexyloxy-6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-cyclohexyloxy-6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridine
PubChem CID127037058
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name3-cyclohexyloxy-6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridine
SMILESCOc1ccc(-c2cnc3c(OC4CCCCC4)snc3c2)cc1OC
InChIInChI=1S/C20H22N2O3S/c1-23-17-9-8-13(11-18(17)24-2)14-10-16-19(21-12-14)20(26-22-16)25-15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3
InChIKeyYQVOITPHANWYQT-UHFFFAOYSA-N
XLogP5.09
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.47
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyloxy-6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridine?
The IUPAC name of 3-cyclohexyloxy-6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridine (CID 127037058) is 3-cyclohexyloxy-6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridine.
What is the SMILES notation for 3-cyclohexyloxy-6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridine?
The canonical SMILES for 3-cyclohexyloxy-6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridine is COc1ccc(-c2cnc3c(OC4CCCCC4)snc3c2)cc1OC.
What is the InChIKey of 3-cyclohexyloxy-6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridine?
The InChIKey is YQVOITPHANWYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-23-17-9-8-13(11-18(17)24-2)14-10-16-19(21-12-14)20(26-22-16)25-15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3.
What are the key properties of 3-cyclohexyloxy-6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridine?
3-cyclohexyloxy-6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridine has a molecular weight of 370.47 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyloxy-6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridine is sourced from PubChem (CID 127037058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).