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

C8H8N2O2S2 — CID 139269793

IUPAC6-methyl-2-methylsulfonyl-[1,3]thiazolo[4,5-b]pyridine
SMILESCc1cnc2nc(S(C)(=O)=O)sc2c1
InChIInChI=1S/C8H8N2O2S2/c1-5-3-6-7(9-4-5)10-8(13-6)14(2,11)12/h3-4H,1-2H3
InChIKeyCFMAVWIRKYFMMF-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.40
Rot. Bonds1

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

6-methyl-2-methylsulfonyl-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 139269793) has the molecular formula C8H8N2O2S2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 6-methyl-2-methylsulfonyl-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-methyl-2-methylsulfonyl-[1,3]thiazolo[4,5-b]pyridine
PubChem CID139269793
Molecular FormulaC8H8N2O2S2
Molecular Weight228.30 g/mol
Exact Mass228.00
IUPAC Name6-methyl-2-methylsulfonyl-[1,3]thiazolo[4,5-b]pyridine
SMILESCc1cnc2nc(S(C)(=O)=O)sc2c1
InChIInChI=1S/C8H8N2O2S2/c1-5-3-6-7(9-4-5)10-8(13-6)14(2,11)12/h3-4H,1-2H3
InChIKeyCFMAVWIRKYFMMF-UHFFFAOYSA-N
XLogP1.40
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,2-dimethylpropylsulfonyl)-6-methyl-[1,3]thiazolo[4,5-b]pyridine
CID 76850277
6-methyl-2-(2-methylpropylsulfonyl)-[1,3]thiazolo[4,5-b]pyridine
CID 76850375
6-methyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridine
CID 76850367
2-[(S)-2,2-difluoroethylsulfinyl]-6-methyl-[1,3]thiazolo[4,5-b]pyridine
CID 97057245
2-benzylsulfanyl-6-methyl-[1,3]thiazolo[4,5-b]pyridine
CID 76850378
ethane;6-methyl-[1,3]thiazolo[4,5-b]pyridine
CID 143917894
5-(2-methylpropyl)-2-methylsulfonyl-1,3-benzothiazole
CID 167214872
ethane;5-methyl-2-methylsulfonylpyrimidine
CID 176693860
4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-5-pyrrolidin-1-yl-1,3-thiazole
CID 6623318
2-chloro-N-(2-methylsulfonyl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 50839912
2-[(5-methylpyrimidin-2-yl)methylsulfonyl]-1,3-benzothiazole
CID 165097232
N-(2,5-dimethyl-3-pyridinyl)methanesulfonamide
CID 123795564

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-methylsulfonyl-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 6-methyl-2-methylsulfonyl-[1,3]thiazolo[4,5-b]pyridine (CID 139269793) is 6-methyl-2-methylsulfonyl-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 6-methyl-2-methylsulfonyl-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 6-methyl-2-methylsulfonyl-[1,3]thiazolo[4,5-b]pyridine is Cc1cnc2nc(S(C)(=O)=O)sc2c1.
What is the InChIKey of 6-methyl-2-methylsulfonyl-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is CFMAVWIRKYFMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S2/c1-5-3-6-7(9-4-5)10-8(13-6)14(2,11)12/h3-4H,1-2H3.
What are the key properties of 6-methyl-2-methylsulfonyl-[1,3]thiazolo[4,5-b]pyridine?
6-methyl-2-methylsulfonyl-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 228.30 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-methylsulfonyl-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 139269793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).