3-methyl-5-(2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazole

C10H8N4O2S2 — CID 139355723

IUPAC3-methyl-5-(2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazole
SMILESCc1noc(-c2cnc3nc(S(C)=O)sc3c2)n1
InChIInChI=1S/C10H8N4O2S2/c1-5-12-9(16-14-5)6-3-7-8(11-4-6)13-10(17-7)18(2)15/h3-4H,1-2H3
InChIKeyWEGWVCKCHVWVSF-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.79
Rot. Bonds2

About 3-methyl-5-(2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazole

3-methyl-5-(2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazole (PubChem CID 139355723) has the molecular formula C10H8N4O2S2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-methyl-5-(2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-(2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazole
PubChem CID139355723
Molecular FormulaC10H8N4O2S2
Molecular Weight280.33 g/mol
Exact Mass280.01
IUPAC Name3-methyl-5-(2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazole
SMILESCc1noc(-c2cnc3nc(S(C)=O)sc3c2)n1
InChIInChI=1S/C10H8N4O2S2/c1-5-12-9(16-14-5)6-3-7-8(11-4-6)13-10(17-7)18(2)15/h3-4H,1-2H3
InChIKeyWEGWVCKCHVWVSF-UHFFFAOYSA-N
XLogP1.79
TPSA81.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-(2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazole (CID 139355723) is 3-methyl-5-(2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-(2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-(2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazole is Cc1noc(-c2cnc3nc(S(C)=O)sc3c2)n1.
What is the InChIKey of 3-methyl-5-(2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazole?
The InChIKey is WEGWVCKCHVWVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2S2/c1-5-12-9(16-14-5)6-3-7-8(11-4-6)13-10(17-7)18(2)15/h3-4H,1-2H3.
What are the key properties of 3-methyl-5-(2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazole?
3-methyl-5-(2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazole has a molecular weight of 280.33 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 139355723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).