2,7-dimethyl-[1,3]thiazolo[4,5-b]pyridine

C8H8N2S — CID 58077927

IUPAC2,7-dimethyl-[1,3]thiazolo[4,5-b]pyridine
SMILESCc1nc2nccc(C)c2s1
InChIInChI=1S/C8H8N2S/c1-5-3-4-9-8-7(5)11-6(2)10-8/h3-4H,1-2H3
InChIKeyNHGWVZGRXMELKS-UHFFFAOYSA-N
MW164.23 g/mol
LogP2.31
Rot. Bonds

About 2,7-dimethyl-[1,3]thiazolo[4,5-b]pyridine

2,7-dimethyl-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 58077927) has the molecular formula C8H8N2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 2,7-dimethyl-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2,7-dimethyl-[1,3]thiazolo[4,5-b]pyridine
PubChem CID58077927
Molecular FormulaC8H8N2S
Molecular Weight164.23 g/mol
Exact Mass164.04
IUPAC Name2,7-dimethyl-[1,3]thiazolo[4,5-b]pyridine
SMILESCc1nc2nccc(C)c2s1
InChIInChI=1S/C8H8N2S/c1-5-3-4-9-8-7(5)11-6(2)10-8/h3-4H,1-2H3
InChIKeyNHGWVZGRXMELKS-UHFFFAOYSA-N
XLogP2.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 2,7-dimethyl-[1,3]thiazolo[4,5-b]pyridine (CID 58077927) is 2,7-dimethyl-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 2,7-dimethyl-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 2,7-dimethyl-[1,3]thiazolo[4,5-b]pyridine is Cc1nc2nccc(C)c2s1.
What is the InChIKey of 2,7-dimethyl-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is NHGWVZGRXMELKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S/c1-5-3-4-9-8-7(5)11-6(2)10-8/h3-4H,1-2H3.
What are the key properties of 2,7-dimethyl-[1,3]thiazolo[4,5-b]pyridine?
2,7-dimethyl-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 164.23 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 58077927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).