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

C21H26N2OS — CID 57138035

IUPAC5-methyl-7-pentoxy-3-(2,4,6-trimethylphenyl)-[1,2]thiazolo[4,5-b]pyridine
SMILESCCCCCOc1cc(C)nc2c(-c3c(C)cc(C)cc3C)nsc12
InChIInChI=1S/C21H26N2OS/c1-6-7-8-9-24-17-12-16(5)22-20-19(23-25-21(17)20)18-14(3)10-13(2)11-15(18)4/h10-12H,6-9H2,1-5H3
InChIKeyMPQANCCJUSJOFQ-UHFFFAOYSA-N
MW354.52 g/mol
LogP6.16
Rot. Bonds6

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

5-methyl-7-pentoxy-3-(2,4,6-trimethylphenyl)-[1,2]thiazolo[4,5-b]pyridine (PubChem CID 57138035) has the molecular formula C21H26N2OS and a molecular weight of 354.52 g/mol. Its IUPAC name is 5-methyl-7-pentoxy-3-(2,4,6-trimethylphenyl)-[1,2]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-methyl-7-pentoxy-3-(2,4,6-trimethylphenyl)-[1,2]thiazolo[4,5-b]pyridine
PubChem CID57138035
Molecular FormulaC21H26N2OS
Molecular Weight354.52 g/mol
Exact Mass354.18
IUPAC Name5-methyl-7-pentoxy-3-(2,4,6-trimethylphenyl)-[1,2]thiazolo[4,5-b]pyridine
SMILESCCCCCOc1cc(C)nc2c(-c3c(C)cc(C)cc3C)nsc12
InChIInChI=1S/C21H26N2OS/c1-6-7-8-9-24-17-12-16(5)22-20-19(23-25-21(17)20)18-14(3)10-13(2)11-15(18)4/h10-12H,6-9H2,1-5H3
InChIKeyMPQANCCJUSJOFQ-UHFFFAOYSA-N
XLogP6.16
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

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

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 5-methyl-7-pentoxy-3-(2,4,6-trimethylphenyl)-[1,2]thiazolo[4,5-b]pyridine?
The IUPAC name of 5-methyl-7-pentoxy-3-(2,4,6-trimethylphenyl)-[1,2]thiazolo[4,5-b]pyridine (CID 57138035) is 5-methyl-7-pentoxy-3-(2,4,6-trimethylphenyl)-[1,2]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 5-methyl-7-pentoxy-3-(2,4,6-trimethylphenyl)-[1,2]thiazolo[4,5-b]pyridine?
The canonical SMILES for 5-methyl-7-pentoxy-3-(2,4,6-trimethylphenyl)-[1,2]thiazolo[4,5-b]pyridine is CCCCCOc1cc(C)nc2c(-c3c(C)cc(C)cc3C)nsc12.
What is the InChIKey of 5-methyl-7-pentoxy-3-(2,4,6-trimethylphenyl)-[1,2]thiazolo[4,5-b]pyridine?
The InChIKey is MPQANCCJUSJOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2OS/c1-6-7-8-9-24-17-12-16(5)22-20-19(23-25-21(17)20)18-14(3)10-13(2)11-15(18)4/h10-12H,6-9H2,1-5H3.
What are the key properties of 5-methyl-7-pentoxy-3-(2,4,6-trimethylphenyl)-[1,2]thiazolo[4,5-b]pyridine?
5-methyl-7-pentoxy-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, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-pentoxy-3-(2,4,6-trimethylphenyl)-[1,2]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 57138035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).