5-(4-chlorophenyl)-3-hydroxy-1-(1,3,4-thiadiazol-2-yl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
Basic information
- CAS
6240-28-4- Standard SMILES
O=C(C1=C(O)C(=O)N(c2nncs2)C1c1ccc(Cl)cc1)c1cccs1- InChIKey
MDZBVUODBPQUFT-UHFFFAOYSA-N- Molecular formula
- C17H10ClN3O3S2
- Average molar mass
- 403.9 g/mol
- Monoisotopic mass
- 402.9852112
Names & identifiers
- Preferred name
- 5-(4-chlorophenyl)-3-hydroxy-1-(1,3,4-thiadiazol-2-yl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
- IUPAC
- 2-(4-chlorophenyl)-4-hydroxy-1-(1,3,4-thiadiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Names & synonyms
307541-61-3STK8474085-(4-chlorophenyl)-3-hydroxy-1-(1,3,4-thiadiazol-2-yl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one6240-28-45-(4-CHLOROPHENYL)-3-HYDROXY-1-(1,3,4-THIADIAZOL-2-YL)-4-(2-THIENYLCARBONYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE5-(4-chlorophenyl)-3-hydroxy-1-(1,3,4-thiadiazol-2-yl)-4-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-oneCBMicro_003299F1065-0077Oprea1_808020CHEMBL3634674DTXSID90387514SMSF0018852
Show more names
AKOS002348912AKOS005627691AKOS016332682CB050032-(4-chlorophenyl)-4-hydroxy-1-(1,3,4-thiadiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-oneBIM-0003275.P001ST50452848AB00673119-01
Database identifiers
- CAS
6240-28-4- PubChem CID
- 2891963
- DTXSID
DTXSID90387514- ChEMBL
CHEMBL3634674
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 624
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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