3-tert-butyl-5-[1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole

C11H16N4OS3 — CID 46635359

IUPAC3-tert-butyl-5-[1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole
SMILESCSc1nnc(SC(C)c2nc(C(C)(C)C)no2)s1
InChIInChI=1S/C11H16N4OS3/c1-6(18-10-14-13-9(17-5)19-10)7-12-8(15-16-7)11(2,3)4/h6H,1-5H3
InChIKeyMVFDPOBNIFWFSQ-UHFFFAOYSA-N
MW316.48 g/mol
LogP3.79
Rot. Bonds4

About 3-tert-butyl-5-[1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole

3-tert-butyl-5-[1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole (PubChem CID 46635359) has the molecular formula C11H16N4OS3 and a molecular weight of 316.48 g/mol. Its IUPAC name is 3-tert-butyl-5-[1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-tert-butyl-5-[1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole
PubChem CID46635359
Molecular FormulaC11H16N4OS3
Molecular Weight316.48 g/mol
Exact Mass316.05
IUPAC Name3-tert-butyl-5-[1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole
SMILESCSc1nnc(SC(C)c2nc(C(C)(C)C)no2)s1
InChIInChI=1S/C11H16N4OS3/c1-6(18-10-14-13-9(17-5)19-10)7-12-8(15-16-7)11(2,3)4/h6H,1-5H3
InChIKeyMVFDPOBNIFWFSQ-UHFFFAOYSA-N
XLogP3.79
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.48
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-tert-butyl-5-[1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-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-tert-butyl-5-[1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-tert-butyl-5-[1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole (CID 46635359) is 3-tert-butyl-5-[1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-tert-butyl-5-[1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-tert-butyl-5-[1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole is CSc1nnc(SC(C)c2nc(C(C)(C)C)no2)s1.
What is the InChIKey of 3-tert-butyl-5-[1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole?
The InChIKey is MVFDPOBNIFWFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS3/c1-6(18-10-14-13-9(17-5)19-10)7-12-8(15-16-7)11(2,3)4/h6H,1-5H3.
What are the key properties of 3-tert-butyl-5-[1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole?
3-tert-butyl-5-[1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole has a molecular weight of 316.48 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-[1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 46635359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).