Basic information
- CAS
1144457-31-7- Standard SMILES
CC(C)c1nnc(NC(=O)c2ccc3c(c2)C(=O)N(C2CC2)C3=O)s1- InChIKey
DDLVJSVCSZLYGB-UHFFFAOYSA-N- Molecular formula
- C17H16N4O3S
- Average molar mass
- 356.4 g/mol
Names & identifiers
- Preferred name
- 2-cyclopropyl-1,3-dioxo-N-[(2E)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]-2,3-dihydro-1H-isoindole-5-carboxamide
- IUPAC
- 2-cyclopropyl-1,3-dioxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)isoindole-5-carboxamide
- English name
- 2-cyclopropyl-1,3-dioxo-N-[(2E)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]-2,3-dihydro-1H-isoindole-5-carboxamide
- Molecular formula
- C17H16N4O3S
- Molecular weight
- 356.4
Names & synonyms
2-cyclopropyl-1,3-dioxo-N-[(2E)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]-2,3-dihydro-1H-isoindole-5-carboxamide1144457-31-72-cyclopropyl-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindoline-5-carboxamideEiM08-08345STK654325AKOS005584569AKOS0163555431H-Isoindole-5-carboxamide, 2-cyclopropyl-2,3-dihydro-N-[5-(1-methylethyl)-1,3,4-thiadiazol-2-yl]-1,3-dioxo-
Database identifiers
- CAS
1144457-31-7
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 594
Chemistry & industry
Suppliers4 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
OTAVA-BB[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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