5-methyl-7-pentan-3-yloxy-3-(2,4,6-trimethylphenyl)-[1,2]thiazolo[4,5-b]pyridine

C21H26N2OS — CID 22474330

IUPAC5-methyl-7-pentan-3-yloxy-3-(2,4,6-trimethylphenyl)-[1,2]thiazolo[4,5-b]pyridine
SMILESCCC(CC)Oc1cc(C)nc2c(-c3c(C)cc(C)cc3C)nsc12
InChIInChI=1S/C21H26N2OS/c1-7-16(8-2)24-17-11-15(6)22-20-19(23-25-21(17)20)18-13(4)9-12(3)10-14(18)5/h9-11,16H,7-8H2,1-6H3
InChIKeyKWTSGGLVCPQKSJ-UHFFFAOYSA-N
MW354.52 g/mol
LogP6.16
Rot. Bonds5

About 5-methyl-7-pentan-3-yloxy-3-(2,4,6-trimethylphenyl)-[1,2]thiazolo[4,5-b]pyridine

5-methyl-7-pentan-3-yloxy-3-(2,4,6-trimethylphenyl)-[1,2]thiazolo[4,5-b]pyridine (PubChem CID 22474330) has the molecular formula C21H26N2OS and a molecular weight of 354.52 g/mol. Its IUPAC name is 5-methyl-7-pentan-3-yloxy-3-(2,4,6-trimethylphenyl)-[1,2]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-methyl-7-pentan-3-yloxy-3-(2,4,6-trimethylphenyl)-[1,2]thiazolo[4,5-b]pyridine
PubChem CID22474330
Molecular FormulaC21H26N2OS
Molecular Weight354.52 g/mol
Exact Mass354.18
IUPAC Name5-methyl-7-pentan-3-yloxy-3-(2,4,6-trimethylphenyl)-[1,2]thiazolo[4,5-b]pyridine
SMILESCCC(CC)Oc1cc(C)nc2c(-c3c(C)cc(C)cc3C)nsc12
InChIInChI=1S/C21H26N2OS/c1-7-16(8-2)24-17-11-15(6)22-20-19(23-25-21(17)20)18-13(4)9-12(3)10-14(18)5/h9-11,16H,7-8H2,1-6H3
InChIKeyKWTSGGLVCPQKSJ-UHFFFAOYSA-N
XLogP6.16
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.52
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-pentan-3-yloxy-3-(2,4,6-trimethylphenyl)-[1,2]thiazolo[4,5-b]pyridine?
The IUPAC name of 5-methyl-7-pentan-3-yloxy-3-(2,4,6-trimethylphenyl)-[1,2]thiazolo[4,5-b]pyridine (CID 22474330) is 5-methyl-7-pentan-3-yloxy-3-(2,4,6-trimethylphenyl)-[1,2]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 5-methyl-7-pentan-3-yloxy-3-(2,4,6-trimethylphenyl)-[1,2]thiazolo[4,5-b]pyridine?
The canonical SMILES for 5-methyl-7-pentan-3-yloxy-3-(2,4,6-trimethylphenyl)-[1,2]thiazolo[4,5-b]pyridine is CCC(CC)Oc1cc(C)nc2c(-c3c(C)cc(C)cc3C)nsc12.
What is the InChIKey of 5-methyl-7-pentan-3-yloxy-3-(2,4,6-trimethylphenyl)-[1,2]thiazolo[4,5-b]pyridine?
The InChIKey is KWTSGGLVCPQKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2OS/c1-7-16(8-2)24-17-11-15(6)22-20-19(23-25-21(17)20)18-13(4)9-12(3)10-14(18)5/h9-11,16H,7-8H2,1-6H3.
What are the key properties of 5-methyl-7-pentan-3-yloxy-3-(2,4,6-trimethylphenyl)-[1,2]thiazolo[4,5-b]pyridine?
5-methyl-7-pentan-3-yloxy-3-(2,4,6-trimethylphenyl)-[1,2]thiazolo[4,5-b]pyridine has a molecular weight of 354.52 g/mol, XLogP of 6.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-pentan-3-yloxy-3-(2,4,6-trimethylphenyl)-[1,2]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 22474330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).