S72014
Basic information
- CAS
76472-90-7- Standard SMILES
CC(C)CN(CC(C)C)CN1CCN(c2ncc([N+](=O)[O-])s2)C1=O- InChIKey
XQAYYJIRGINCFP-UHFFFAOYSA-N- Molecular formula
- C15H25N5O3S
- Average molar mass
- 355.5 g/mol
- Monoisotopic mass
- 355.16781085
Overview
structure in first source
Names & identifiers
- Preferred name
- S72014
- IUPAC
- 1-[[bis(2-methylpropyl)amino]methyl]-3-(5-nitro-1,3-thiazol-2-yl)imidazolidin-2-one
Names & synonyms
S7201476472-90-7S 72014DTXSID202272772-IMIDAZOLIDINONE, 1-((BIS(2-METHYLPROPYL)AMINO)METHYL)-3-(5-NITRO-2-THIAZOLYL)-S-72014RefChem:180736DTXCID201497681-((Bis(2-methylpropyl)amino)methyl)-3-(5-nitro-2-thiazolyl)-2-imidazolidinone1-[[bis(2-methylpropyl)amino]methyl]-3-(5-nitro-1,3-thiazol-2-yl)imidazolidin-2-one1-(5-nitro-2-thiazolyl)-3-diisobutylaminomethyl-2-imidazolidinone1-{[BIS(2-METHYLPROPYL)AMINO]METHYL}-3-(5-NITRO-1,3-THIAZOL-2-YL)IMIDAZOLIDIN-2-ONE
Show more names
1-(5-Nitro-2-thiazolyl)-3-diisobutylaminomethyl-2-imidazolinoneSCHEMBL309016601-((diisobutylamino)methyl)-3-(5-nitrothiazol-2-yl)imidazolidin-2-one1-((BIS(2-METHYLPROPYL)AMINO)METHYL)-3-(5-NITRO-THIAZOL-2-YL)-2-IMIDAZOLIDINONE
Database identifiers
- CAS
76472-90-7- PubChem CID
- 53507
- DTXSID
DTXSID20227277
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 447
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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