2-({2-[(5-Cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-N-(4-methylphenyl)acetamide
Basic information
- CAS
1031143-05-1- Standard SMILES
Cc1ccc(NC(=O)CSCC(=O)Nc2nnc(C3CC3)s2)cc1- InChIKey
UGQIZWGFGKOTSG-UHFFFAOYSA-N- Molecular formula
- C16H18N4O2S2
- Average molar mass
- 362.5 g/mol
- Monoisotopic mass
- 362.08711818
Names & identifiers
- Preferred name
- 2-({2-[(5-Cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-N-(4-methylphenyl)acetamide
- IUPAC
- 2-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
Names & synonyms
MLS001150498CHEMBL1730699DTXSID201330539HMS3014N20AKOS0170383491031143-05-1SMR000712009Z271665272-({2-[(5-Cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-N-(4-methylphenyl)acetamide2-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
Database identifiers
- CAS
1031143-05-1- PubChem CID
- 24980907
- DTXSID
DTXSID201330539- ChEMBL
CHEMBL1730699
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 453
Experimental & physicochemical properties
Solubility7.2 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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