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

C11H17N5OS2 — CID 35363514

IUPAC5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(SCc2noc(C(C)(C)C)n2)s1
InChIInChI=1S/C11H17N5OS2/c1-5-12-9-14-15-10(19-9)18-6-7-13-8(17-16-7)11(2,3)4/h5-6H2,1-4H3,(H,12,14)
InChIKeyHBZBAJDHXRPIGV-UHFFFAOYSA-N
MW299.43 g/mol
LogP2.94
Rot. Bonds5

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

5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 35363514) has the molecular formula C11H17N5OS2 and a molecular weight of 299.43 g/mol. Its IUPAC name is 5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID35363514
Molecular FormulaC11H17N5OS2
Molecular Weight299.43 g/mol
Exact Mass299.09
IUPAC Name5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(SCc2noc(C(C)(C)C)n2)s1
InChIInChI=1S/C11H17N5OS2/c1-5-12-9-14-15-10(19-9)18-6-7-13-8(17-16-7)11(2,3)4/h5-6H2,1-4H3,(H,12,14)
InChIKeyHBZBAJDHXRPIGV-UHFFFAOYSA-N
XLogP2.94
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine (CID 35363514) is 5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine is CCNc1nnc(SCc2noc(C(C)(C)C)n2)s1.
What is the InChIKey of 5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is HBZBAJDHXRPIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5OS2/c1-5-12-9-14-15-10(19-9)18-6-7-13-8(17-16-7)11(2,3)4/h5-6H2,1-4H3,(H,12,14).
What are the key properties of 5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 299.43 g/mol, XLogP of 2.94, 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-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 35363514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).