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

C12H12N4O2S2 — CID 139355880

IUPAC5-(7-ethyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-3-methyl-1,2,4-oxadiazole
SMILESCCc1c(-c2nc(C)no2)cnc2nc(S(C)=O)sc12
InChIInChI=1S/C12H12N4O2S2/c1-4-7-8(11-14-6(2)16-18-11)5-13-10-9(7)19-12(15-10)20(3)17/h5H,4H2,1-3H3
InChIKeySCLMGDIDZLDFFL-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.35
Rot. Bonds3

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

5-(7-ethyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-3-methyl-1,2,4-oxadiazole (PubChem CID 139355880) has the molecular formula C12H12N4O2S2 and a molecular weight of 308.39 g/mol. Its IUPAC name is 5-(7-ethyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(7-ethyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-3-methyl-1,2,4-oxadiazole
PubChem CID139355880
Molecular FormulaC12H12N4O2S2
Molecular Weight308.39 g/mol
Exact Mass308.04
IUPAC Name5-(7-ethyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-3-methyl-1,2,4-oxadiazole
SMILESCCc1c(-c2nc(C)no2)cnc2nc(S(C)=O)sc12
InChIInChI=1S/C12H12N4O2S2/c1-4-7-8(11-14-6(2)16-18-11)5-13-10-9(7)19-12(15-10)20(3)17/h5H,4H2,1-3H3
InChIKeySCLMGDIDZLDFFL-UHFFFAOYSA-N
XLogP2.35
TPSA81.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)-2-pyridinamine
CID 45181282
N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
CID 71871211
2-(7-Cyclopropyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-5-methyl-1,3,4-oxadiazole
CID 135319455
7-Ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid
CID 135319468
3-(7-Ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-5-methyl-1,2,4-oxadiazole
CID 135319507
7-ethyl-N-methoxy-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide
CID 135319532
5-(7-Ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-3-methyl-1,2,4-oxadiazole
CID 135319542
Ethyl 7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
CID 135319669
2-Methyl-5-(2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1,3,4-oxadiazole
CID 135319719
5-(7-Cyclopropyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-3-methyl-1,2,4-oxadiazole
CID 135319745
3-Methyl-5-(2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazole
CID 139355723
(2R)-N-benzyl-1-[7-ethyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide
CID 139355790

Frequently Asked Questions

What is the IUPAC name of 5-(7-ethyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(7-ethyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-3-methyl-1,2,4-oxadiazole (CID 139355880) is 5-(7-ethyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(7-ethyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(7-ethyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-3-methyl-1,2,4-oxadiazole is CCc1c(-c2nc(C)no2)cnc2nc(S(C)=O)sc12.
What is the InChIKey of 5-(7-ethyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-3-methyl-1,2,4-oxadiazole?
The InChIKey is SCLMGDIDZLDFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S2/c1-4-7-8(11-14-6(2)16-18-11)5-13-10-9(7)19-12(15-10)20(3)17/h5H,4H2,1-3H3.
What are the key properties of 5-(7-ethyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-3-methyl-1,2,4-oxadiazole?
5-(7-ethyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-3-methyl-1,2,4-oxadiazole has a molecular weight of 308.39 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-ethyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 139355880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).