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

C13H12N4OS2 — CID 135319745

IUPAC5-(7-cyclopropyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-3-methyl-1,2,4-oxadiazole
SMILESCSc1nc2ncc(-c3nc(C)no3)c(C3CC3)c2s1
InChIInChI=1S/C13H12N4OS2/c1-6-15-12(18-17-6)8-5-14-11-10(9(8)7-3-4-7)20-13(16-11)19-2/h5,7H,3-4H2,1-2H3
InChIKeyYCLHJBNAJNYWPE-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.65
Rot. Bonds3

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

5-(7-cyclopropyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-3-methyl-1,2,4-oxadiazole (PubChem CID 135319745) has the molecular formula C13H12N4OS2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 5-(7-cyclopropyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(7-cyclopropyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-3-methyl-1,2,4-oxadiazole
PubChem CID135319745
Molecular FormulaC13H12N4OS2
Molecular Weight304.40 g/mol
Exact Mass304.05
IUPAC Name5-(7-cyclopropyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-3-methyl-1,2,4-oxadiazole
SMILESCSc1nc2ncc(-c3nc(C)no3)c(C3CC3)c2s1
InChIInChI=1S/C13H12N4OS2/c1-6-15-12(18-17-6)8-5-14-11-10(9(8)7-3-4-7)20-13(16-11)19-2/h5,7H,3-4H2,1-2H3
InChIKeyYCLHJBNAJNYWPE-UHFFFAOYSA-N
XLogP3.65
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(7-cyclopropyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(7-cyclopropyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-3-methyl-1,2,4-oxadiazole (CID 135319745) is 5-(7-cyclopropyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(7-cyclopropyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(7-cyclopropyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-3-methyl-1,2,4-oxadiazole is CSc1nc2ncc(-c3nc(C)no3)c(C3CC3)c2s1.
What is the InChIKey of 5-(7-cyclopropyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-3-methyl-1,2,4-oxadiazole?
The InChIKey is YCLHJBNAJNYWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS2/c1-6-15-12(18-17-6)8-5-14-11-10(9(8)7-3-4-7)20-13(16-11)19-2/h5,7H,3-4H2,1-2H3.
What are the key properties of 5-(7-cyclopropyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-3-methyl-1,2,4-oxadiazole?
5-(7-cyclopropyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-3-methyl-1,2,4-oxadiazole has a molecular weight of 304.40 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-cyclopropyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 135319745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).