Nizatidine | SBID = 328 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 140.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.6 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 8.0 | ||
| Number of Stereogenic Bonds (E/Z): | 1.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 250.3 | ||
| Sum Formula: | C12H21N5O2S2 | ||
| M / g/mol: | 331.453 | ||
| Complexity: | 349.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: typical guest, drug
- Name: Nizatidine
- Preferred Abbreviation: Nizatidine
- IUPAC Name: (E)-1-N'-[2-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine
- CAS: 76963-41-2
- CID: 3033637
- InChiKey: SGXXNSQHWDMGGP-IZZDOVSWSA-N
- InChi: InChI=1S/C12H21N5O2S2/c1-13-11(6-17(18)19)14-4-5-20-8-10-9-21-12(15-10)7-16(2)3/h6,9,13-14H,4-5,7-8H2,1-3H3/b11-6+
- CanoSmiles: CNC(=C[N+](=O)[O-])NCCSCC1=CSC(=N1)CN(C)C
- IsoSmiles: CN/C(=C\[N+](=O)[O-])/NCCSCC1=CSC(=N1)CN(C)C
