2-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide

• ChemBase ID: 312574
• Molecular Formular: C7H10ClN3OS
• Molecular Mass: 219.6918
• Monoisotopic Mass: 219.02331064
• SMILES: c1(sc(nn1)CC)NC(=O)C(Cl)C
• Canonical SMILES: CCc1nnc(s1)NC(=O)C(Cl)C
• InChI: InChI=1S/C7H10ClN3OS/c1-3-5-10-11-7(13-5)9-6(12)4(2)8/h4H,3H2,1-2H3,(H,9,11,12)
• InChIKey: OTRRQPRHLHNAKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
• IUPAC Traditional name: 2-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
• Synonyms: 2-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide

Database IDs

• CAS Number: 391864-00-9
• MDL Number: MFCD04409256

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5999527
• LogD (pH = 7.4): 1.599406
• Log P: 1.5999609
• Molar Refractivity: 54.0402 cm^3
• Polarizability: 19.57538 Å^3
• Polar Surface Area: 54.88 Å^2