2-ethyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)hexanamide

C11H19N3OS2 — CID 11839398

IUPAC2-ethyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)hexanamide
SMILESCCCCC(CC)C(=O)Nc1nnc(SC)s1
InChIInChI=1S/C11H19N3OS2/c1-4-6-7-8(5-2)9(15)12-10-13-14-11(16-3)17-10/h8H,4-7H2,1-3H3,(H,12,13,15)
InChIKeyBXVSPVQZKCJRRD-UHFFFAOYSA-N
MW273.43 g/mol
LogP3.41
Rot. Bonds7

About 2-ethyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)hexanamide

2-ethyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)hexanamide (PubChem CID 11839398) has the molecular formula C11H19N3OS2 and a molecular weight of 273.43 g/mol. Its IUPAC name is 2-ethyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)hexanamide.

Molecular Properties

Compound Name2-ethyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)hexanamide
PubChem CID11839398
Molecular FormulaC11H19N3OS2
Molecular Weight273.43 g/mol
Exact Mass273.10
IUPAC Name2-ethyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)hexanamide
SMILESCCCCC(CC)C(=O)Nc1nnc(SC)s1
InChIInChI=1S/C11H19N3OS2/c1-4-6-7-8(5-2)9(15)12-10-13-14-11(16-3)17-10/h8H,4-7H2,1-3H3,(H,12,13,15)
InChIKeyBXVSPVQZKCJRRD-UHFFFAOYSA-N
XLogP3.41
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

Analyze 2-ethyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)hexanamide 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 2-ethyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)hexanamide?
The IUPAC name of 2-ethyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)hexanamide (CID 11839398) is 2-ethyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)hexanamide.
What is the SMILES notation for 2-ethyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)hexanamide?
The canonical SMILES for 2-ethyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)hexanamide is CCCCC(CC)C(=O)Nc1nnc(SC)s1.
What is the InChIKey of 2-ethyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)hexanamide?
The InChIKey is BXVSPVQZKCJRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS2/c1-4-6-7-8(5-2)9(15)12-10-13-14-11(16-3)17-10/h8H,4-7H2,1-3H3,(H,12,13,15).
What are the key properties of 2-ethyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)hexanamide?
2-ethyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)hexanamide has a molecular weight of 273.43 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)hexanamide is sourced from PubChem (CID 11839398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).