Succinamic acid, N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-, 2-(diethylamino)ethyl ester

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Basic information

CAS: 107811-20-1
Standard SMILES: CCN(CC)CCOC(=O)CCC(=O)Nc1nnc(C(C)C)s1
InChIKey: BXUFTUOIOLHFFU-UHFFFAOYSA-N
Molecular formula: C15H26N4O3S
Average molar mass: 342.5 g/mol
Monoisotopic mass: 342.17256188

Names & identifiers

Preferred name: Succinamic acid, N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-, 2-(diethylamino)ethyl ester
IUPAC: 2-(diethylamino)ethyl 4-oxo-4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butanoate

Names & synonyms

Succinamic acid, N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-, 2-(diethylamino)ethyl esterN-(5-Isopropyl-1,3,4-thiadiazol-2-yl)succinamic acid 2-(diethylamino)ethyl ester107811-20-1DTXSID70148261RefChem:382340DTXCID80707522-(Diethylamino)ethyl 4-oxo-4-{[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]amino}butanoate

Database identifiers

CAS: 107811-20-1
PubChem CID: 3065355
DTXSID: DTXSID70148261

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 113 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 11
Heavy atoms: 23
Formal charge: 0
Complexity: 378

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Compound notes

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