5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine

C12H19N5OS2 — CID 35357506

IUPAC5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC(C)Nc1nnc(SCc2noc(C(C)(C)C)n2)s1
InChIInChI=1S/C12H19N5OS2/c1-7(2)13-10-15-16-11(20-10)19-6-8-14-9(18-17-8)12(3,4)5/h7H,6H2,1-5H3,(H,13,15)
InChIKeyMUGZZOIFPGVITA-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.33
Rot. Bonds5

About 5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine

5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 35357506) has the molecular formula C12H19N5OS2 and a molecular weight of 313.45 g/mol. Its IUPAC name is 5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID35357506
Molecular FormulaC12H19N5OS2
Molecular Weight313.45 g/mol
Exact Mass313.10
IUPAC Name5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC(C)Nc1nnc(SCc2noc(C(C)(C)C)n2)s1
InChIInChI=1S/C12H19N5OS2/c1-7(2)13-10-15-16-11(20-10)19-6-8-14-9(18-17-8)12(3,4)5/h7H,6H2,1-5H3,(H,13,15)
InChIKeyMUGZZOIFPGVITA-UHFFFAOYSA-N
XLogP3.33
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine 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 5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine (CID 35357506) is 5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine is CC(C)Nc1nnc(SCc2noc(C(C)(C)C)n2)s1.
What is the InChIKey of 5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is MUGZZOIFPGVITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5OS2/c1-7(2)13-10-15-16-11(20-10)19-6-8-14-9(18-17-8)12(3,4)5/h7H,6H2,1-5H3,(H,13,15).
What are the key properties of 5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 313.45 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 35357506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).