3-methyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole

C7H8N4OS3 — CID 47140892

IUPAC3-methyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESCSc1nnc(SCc2nc(C)no2)s1
InChIInChI=1S/C7H8N4OS3/c1-4-8-5(12-11-4)3-14-7-10-9-6(13-2)15-7/h3H2,1-2H3
InChIKeySAXULGONXXXLNF-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.24
Rot. Bonds4

About 3-methyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole

3-methyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole (PubChem CID 47140892) has the molecular formula C7H8N4OS3 and a molecular weight of 260.37 g/mol. Its IUPAC name is 3-methyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
PubChem CID47140892
Molecular FormulaC7H8N4OS3
Molecular Weight260.37 g/mol
Exact Mass259.99
IUPAC Name3-methyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESCSc1nnc(SCc2nc(C)no2)s1
InChIInChI=1S/C7H8N4OS3/c1-4-8-5(12-11-4)3-14-7-10-9-6(13-2)15-7/h3H2,1-2H3
InChIKeySAXULGONXXXLNF-UHFFFAOYSA-N
XLogP2.24
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-methyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole (CID 47140892) is 3-methyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole is CSc1nnc(SCc2nc(C)no2)s1.
What is the InChIKey of 3-methyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The InChIKey is SAXULGONXXXLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4OS3/c1-4-8-5(12-11-4)3-14-7-10-9-6(13-2)15-7/h3H2,1-2H3.
What are the key properties of 3-methyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole?
3-methyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole has a molecular weight of 260.37 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 47140892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).