6-methyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridine

C8H8N2OS2 — CID 76850367

IUPAC6-methyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridine
SMILESCc1cnc2nc(S(C)=O)sc2c1
InChIInChI=1S/C8H8N2OS2/c1-5-3-6-7(9-4-5)10-8(12-6)13(2)11/h3-4H,1-2H3
InChIKeyFVTMUIIPALDMKM-UHFFFAOYSA-N
MW212.30 g/mol
LogP1.74
Rot. Bonds1

About 6-methyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridine

6-methyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 76850367) has the molecular formula C8H8N2OS2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 6-methyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-methyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridine
PubChem CID76850367
Molecular FormulaC8H8N2OS2
Molecular Weight212.30 g/mol
Exact Mass212.01
IUPAC Name6-methyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridine
SMILESCc1cnc2nc(S(C)=O)sc2c1
InChIInChI=1S/C8H8N2OS2/c1-5-3-6-7(9-4-5)10-8(12-6)13(2)11/h3-4H,1-2H3
InChIKeyFVTMUIIPALDMKM-UHFFFAOYSA-N
XLogP1.74
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 6-methyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridine (CID 76850367) is 6-methyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 6-methyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 6-methyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridine is Cc1cnc2nc(S(C)=O)sc2c1.
What is the InChIKey of 6-methyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is FVTMUIIPALDMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS2/c1-5-3-6-7(9-4-5)10-8(12-6)13(2)11/h3-4H,1-2H3.
What are the key properties of 6-methyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridine?
6-methyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 212.30 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 76850367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).