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

C13H12N4OS2 — CID 135319455

IUPAC2-(7-cyclopropyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-5-methyl-1,3,4-oxadiazole
SMILESCSc1nc2ncc(-c3nnc(C)o3)c(C3CC3)c2s1
InChIInChI=1S/C13H12N4OS2/c1-6-16-17-12(18-6)8-5-14-11-10(9(8)7-3-4-7)20-13(15-11)19-2/h5,7H,3-4H2,1-2H3
InChIKeyHJYMYFDLOREFKS-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.65
Rot. Bonds3

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

2-(7-cyclopropyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-5-methyl-1,3,4-oxadiazole (PubChem CID 135319455) has the molecular formula C13H12N4OS2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 2-(7-cyclopropyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(7-cyclopropyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-5-methyl-1,3,4-oxadiazole
PubChem CID135319455
Molecular FormulaC13H12N4OS2
Molecular Weight304.40 g/mol
Exact Mass304.05
IUPAC Name2-(7-cyclopropyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-5-methyl-1,3,4-oxadiazole
SMILESCSc1nc2ncc(-c3nnc(C)o3)c(C3CC3)c2s1
InChIInChI=1S/C13H12N4OS2/c1-6-16-17-12(18-6)8-5-14-11-10(9(8)7-3-4-7)20-13(15-11)19-2/h5,7H,3-4H2,1-2H3
InChIKeyHJYMYFDLOREFKS-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

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

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Related Compounds

5-(7-Ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-3-methyl-1,2,4-oxadiazole
CID 135319542
Ethyl 7-cyclopropyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
CID 135319600
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
(2R)-N-benzyl-1-[7-cyclopropyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide
CID 139355526
5-(7-Ethyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-3-methyl-1,2,4-oxadiazole
CID 139355880
2-Methyl-5-(2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1,3,4-oxadiazole
CID 139355897
1-[(2R)-1-[7-cyclopropyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidin-2-yl]-3-phenylpropan-1-one
CID 157620703
1-[(2R)-1-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidin-2-yl]-3-(2-methylphenyl)propan-1-one
CID 159499535
(3S)-1-[(2R)-1-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidin-2-yl]-3-phenylbutan-1-one
CID 160822140
1-[(2R)-1-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidin-2-yl]-3-phenylpropan-1-one
CID 162068822
2-(5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole
CID 9334218

Frequently Asked Questions

What is the IUPAC name of 2-(7-cyclopropyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-(7-cyclopropyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-5-methyl-1,3,4-oxadiazole (CID 135319455) is 2-(7-cyclopropyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(7-cyclopropyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(7-cyclopropyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-5-methyl-1,3,4-oxadiazole is CSc1nc2ncc(-c3nnc(C)o3)c(C3CC3)c2s1.
What is the InChIKey of 2-(7-cyclopropyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-5-methyl-1,3,4-oxadiazole?
The InChIKey is HJYMYFDLOREFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS2/c1-6-16-17-12(18-6)8-5-14-11-10(9(8)7-3-4-7)20-13(15-11)19-2/h5,7H,3-4H2,1-2H3.
What are the key properties of 2-(7-cyclopropyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-5-methyl-1,3,4-oxadiazole?
2-(7-cyclopropyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-5-methyl-1,3,4-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 2-(7-cyclopropyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 135319455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).