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

C12H16N2O2S2 — CID 76850277

IUPAC2-(2,2-dimethylpropylsulfonyl)-6-methyl-[1,3]thiazolo[4,5-b]pyridine
SMILESCc1cnc2nc(S(=O)(=O)CC(C)(C)C)sc2c1
InChIInChI=1S/C12H16N2O2S2/c1-8-5-9-10(13-6-8)14-11(17-9)18(15,16)7-12(2,3)4/h5-6H,7H2,1-4H3
InChIKeyZHHZHHWERCLCBW-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.82
Rot. Bonds2

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

2-(2,2-dimethylpropylsulfonyl)-6-methyl-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 76850277) has the molecular formula C12H16N2O2S2 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-(2,2-dimethylpropylsulfonyl)-6-methyl-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2,2-dimethylpropylsulfonyl)-6-methyl-[1,3]thiazolo[4,5-b]pyridine
PubChem CID76850277
Molecular FormulaC12H16N2O2S2
Molecular Weight284.41 g/mol
Exact Mass284.07
IUPAC Name2-(2,2-dimethylpropylsulfonyl)-6-methyl-[1,3]thiazolo[4,5-b]pyridine
SMILESCc1cnc2nc(S(=O)(=O)CC(C)(C)C)sc2c1
InChIInChI=1S/C12H16N2O2S2/c1-8-5-9-10(13-6-8)14-11(17-9)18(15,16)7-12(2,3)4/h5-6H,7H2,1-4H3
InChIKeyZHHZHHWERCLCBW-UHFFFAOYSA-N
XLogP2.82
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropylsulfonyl)-6-methyl-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 2-(2,2-dimethylpropylsulfonyl)-6-methyl-[1,3]thiazolo[4,5-b]pyridine (CID 76850277) is 2-(2,2-dimethylpropylsulfonyl)-6-methyl-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 2-(2,2-dimethylpropylsulfonyl)-6-methyl-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 2-(2,2-dimethylpropylsulfonyl)-6-methyl-[1,3]thiazolo[4,5-b]pyridine is Cc1cnc2nc(S(=O)(=O)CC(C)(C)C)sc2c1.
What is the InChIKey of 2-(2,2-dimethylpropylsulfonyl)-6-methyl-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is ZHHZHHWERCLCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S2/c1-8-5-9-10(13-6-8)14-11(17-9)18(15,16)7-12(2,3)4/h5-6H,7H2,1-4H3.
What are the key properties of 2-(2,2-dimethylpropylsulfonyl)-6-methyl-[1,3]thiazolo[4,5-b]pyridine?
2-(2,2-dimethylpropylsulfonyl)-6-methyl-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 284.41 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropylsulfonyl)-6-methyl-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 76850277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).