3,6-dimethyl-4-phenyl-[1,2]thiazolo[5,4-b]pyridine

C14H12N2S — CID 129096994

IUPAC3,6-dimethyl-4-phenyl-[1,2]thiazolo[5,4-b]pyridine
SMILESCc1cc(-c2ccccc2)c2c(C)nsc2n1
InChIInChI=1S/C14H12N2S/c1-9-8-12(11-6-4-3-5-7-11)13-10(2)16-17-14(13)15-9/h3-8H,1-2H3
InChIKeyPTFZMQWSTYJUCN-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.98
Rot. Bonds1

About 3,6-dimethyl-4-phenyl-[1,2]thiazolo[5,4-b]pyridine

3,6-dimethyl-4-phenyl-[1,2]thiazolo[5,4-b]pyridine (PubChem CID 129096994) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 3,6-dimethyl-4-phenyl-[1,2]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3,6-dimethyl-4-phenyl-[1,2]thiazolo[5,4-b]pyridine
PubChem CID129096994
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC Name3,6-dimethyl-4-phenyl-[1,2]thiazolo[5,4-b]pyridine
SMILESCc1cc(-c2ccccc2)c2c(C)nsc2n1
InChIInChI=1S/C14H12N2S/c1-9-8-12(11-6-4-3-5-7-11)13-10(2)16-17-14(13)15-9/h3-8H,1-2H3
InChIKeyPTFZMQWSTYJUCN-UHFFFAOYSA-N
XLogP3.98
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-4-phenyl-[1,2]thiazolo[5,4-b]pyridine?
The IUPAC name of 3,6-dimethyl-4-phenyl-[1,2]thiazolo[5,4-b]pyridine (CID 129096994) is 3,6-dimethyl-4-phenyl-[1,2]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 3,6-dimethyl-4-phenyl-[1,2]thiazolo[5,4-b]pyridine?
The canonical SMILES for 3,6-dimethyl-4-phenyl-[1,2]thiazolo[5,4-b]pyridine is Cc1cc(-c2ccccc2)c2c(C)nsc2n1.
What is the InChIKey of 3,6-dimethyl-4-phenyl-[1,2]thiazolo[5,4-b]pyridine?
The InChIKey is PTFZMQWSTYJUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c1-9-8-12(11-6-4-3-5-7-11)13-10(2)16-17-14(13)15-9/h3-8H,1-2H3.
What are the key properties of 3,6-dimethyl-4-phenyl-[1,2]thiazolo[5,4-b]pyridine?
3,6-dimethyl-4-phenyl-[1,2]thiazolo[5,4-b]pyridine has a molecular weight of 240.33 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-4-phenyl-[1,2]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 129096994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).