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

C11H14N2O2S2 — CID 76850375

IUPAC6-methyl-2-(2-methylpropylsulfonyl)-[1,3]thiazolo[4,5-b]pyridine
SMILESCc1cnc2nc(S(=O)(=O)CC(C)C)sc2c1
InChIInChI=1S/C11H14N2O2S2/c1-7(2)6-17(14,15)11-13-10-9(16-11)4-8(3)5-12-10/h4-5,7H,6H2,1-3H3
InChIKeyGQQREXPCUOKVEC-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.43
Rot. Bonds3

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

6-methyl-2-(2-methylpropylsulfonyl)-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 76850375) has the molecular formula C11H14N2O2S2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 6-methyl-2-(2-methylpropylsulfonyl)-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-methyl-2-(2-methylpropylsulfonyl)-[1,3]thiazolo[4,5-b]pyridine
PubChem CID76850375
Molecular FormulaC11H14N2O2S2
Molecular Weight270.38 g/mol
Exact Mass270.05
IUPAC Name6-methyl-2-(2-methylpropylsulfonyl)-[1,3]thiazolo[4,5-b]pyridine
SMILESCc1cnc2nc(S(=O)(=O)CC(C)C)sc2c1
InChIInChI=1S/C11H14N2O2S2/c1-7(2)6-17(14,15)11-13-10-9(16-11)4-8(3)5-12-10/h4-5,7H,6H2,1-3H3
InChIKeyGQQREXPCUOKVEC-UHFFFAOYSA-N
XLogP2.43
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-methylpropylsulfonyl)-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 6-methyl-2-(2-methylpropylsulfonyl)-[1,3]thiazolo[4,5-b]pyridine (CID 76850375) is 6-methyl-2-(2-methylpropylsulfonyl)-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 6-methyl-2-(2-methylpropylsulfonyl)-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 6-methyl-2-(2-methylpropylsulfonyl)-[1,3]thiazolo[4,5-b]pyridine is Cc1cnc2nc(S(=O)(=O)CC(C)C)sc2c1.
What is the InChIKey of 6-methyl-2-(2-methylpropylsulfonyl)-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is GQQREXPCUOKVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S2/c1-7(2)6-17(14,15)11-13-10-9(16-11)4-8(3)5-12-10/h4-5,7H,6H2,1-3H3.
What are the key properties of 6-methyl-2-(2-methylpropylsulfonyl)-[1,3]thiazolo[4,5-b]pyridine?
6-methyl-2-(2-methylpropylsulfonyl)-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 270.38 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-methylpropylsulfonyl)-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 76850375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).