Basic information
- CAS
330180-61-5- Standard SMILES
CN(C)CCCNC(=O)C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1- InChIKey
ZUYJYEAJOWLGLU-UHFFFAOYSA-N- Molecular formula
- C20H30N4O2S
- Average molar mass
- 390.5 g/mol
- Monoisotopic mass
- 390.20894739
Names & identifiers
- Preferred name
- N-(4-Adamantan-1-yl-thiazol-2-yl)-N'-(3-dimethylamino-propyl)-oxalamide
- IUPAC
- N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-[3-(dimethylamino)propyl]oxamide
- English name
- N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-[3-(dimethylamino)propyl]oxamide
- Molecular formula
- C20H30N4O2S
- Molecular weight
- 390.54
Names & synonyms
BAS 00919875STK530018AKOS000624381N-(4-Adamantan-1-yl-thiazol-2-yl)-N'-(3-dimethylamino-propyl)-oxalamideST088551AG-690/12869057N-(4-adamantanyl(1,3-thiazol-2-yl))-N'-[3-(dimethylamino)propyl]ethane-1,2-dia mideN~1~-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N~2~-[3-(dimethylamino)propyl]ethanediamideN1-(4-((3r,5r,7r)-adamantan-1-yl)thiazol-2-yl)-N2-(3-(dimethylamino)propyl)oxalamideN-[3-(dimethylamino)propyl]-N'-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,3-thiazol-2-yl]ethanediamideN'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-[3-(dimethylamino)propyl]oxamideEthanediamide, N1-[3-(dimethylamino)propyl]-N2-(4-tricyclo[3.3.1.13,7]dec-1-yl-2-thiazolyl)-
Database identifiers
- CAS
330180-61-5- PubChem CID
- 3122891
- EC Number
- 153-548-9
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 541
Physicochemical properties
- Density
- 1.26 · 1.260±0.06 g/cm3(Predicted)
- pka
- 5.06 · 5.06±0.70(Predicted)
Chemistry & industry
Suppliers3 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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