3-(7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-5-methyl-1,2,4-oxadiazole

C12H12N4OS2 — CID 135319507

IUPAC3-(7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-5-methyl-1,2,4-oxadiazole
SMILESCCc1c(-c2noc(C)n2)cnc2nc(SC)sc12
InChIInChI=1S/C12H12N4OS2/c1-4-7-8(10-14-6(2)17-16-10)5-13-11-9(7)19-12(15-11)18-3/h5H,4H2,1-3H3
InChIKeyLNNLKMPDORHNGR-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.33
Rot. Bonds3

About 3-(7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-5-methyl-1,2,4-oxadiazole

3-(7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-5-methyl-1,2,4-oxadiazole (PubChem CID 135319507) has the molecular formula C12H12N4OS2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 3-(7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-5-methyl-1,2,4-oxadiazole
PubChem CID135319507
Molecular FormulaC12H12N4OS2
Molecular Weight292.39 g/mol
Exact Mass292.05
IUPAC Name3-(7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-5-methyl-1,2,4-oxadiazole
SMILESCCc1c(-c2noc(C)n2)cnc2nc(SC)sc12
InChIInChI=1S/C12H12N4OS2/c1-4-7-8(10-14-6(2)17-16-10)5-13-11-9(7)19-12(15-11)18-3/h5H,4H2,1-3H3
InChIKeyLNNLKMPDORHNGR-UHFFFAOYSA-N
XLogP3.33
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-(7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-5-methyl-1,2,4-oxadiazole (CID 135319507) is 3-(7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-5-methyl-1,2,4-oxadiazole is CCc1c(-c2noc(C)n2)cnc2nc(SC)sc12.
What is the InChIKey of 3-(7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-5-methyl-1,2,4-oxadiazole?
The InChIKey is LNNLKMPDORHNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS2/c1-4-7-8(10-14-6(2)17-16-10)5-13-11-9(7)19-12(15-11)18-3/h5H,4H2,1-3H3.
What are the key properties of 3-(7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-5-methyl-1,2,4-oxadiazole?
3-(7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-5-methyl-1,2,4-oxadiazole has a molecular weight of 292.39 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 135319507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).