N-[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
Basic information
- CAS
392299-92-2- Standard SMILES
CC(=O)Nc1nnc(SCC(=O)N2CCCc3ccccc32)s1- InChIKey
YRQSPLBKILVNHW-UHFFFAOYSA-N- Molecular formula
- C15H16N4O2S2
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.07146811
Names & identifiers
- Preferred name
- N-[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
- IUPAC
- N-[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
Names & synonyms
392299-92-2N-[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamideOprea1_597488MLS000703472CHEMBL1532267DTXSID501329208HMS2665B11AKOS024577192SMR000322916SR-01000006024SR-01000006024-1F0417-1543
Show more names
N-(5-((2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)acetamideN-(5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide
Database identifiers
- CAS
392299-92-2- PubChem CID
- 3418404
- DTXSID
DTXSID501329208- ChEMBL
CHEMBL1532267
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 451
Experimental & physicochemical properties
Solubility51.7 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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