IUPAC name
dimethyl[(4-{[(2-{[(E)-1-(methylamino)-2-nitroethenyl]amino}ethyl)sulfanyl]methyl}-1,3-thiazol-2-yl)methyl]amine
SMILES
CN\C(NCCSCC1=CSC(CN(C)C)=N1)=C/[N+]([O-])=O
Compound class
Anti-Ulcer Agents; Alimentary Tract and Metabolism; Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Drugs for Acid Related Disorders; H2 Antagonists;
Therapeutic area
For the treatment of acid-reflux disorders (GERD), peptic ulcer disease, active benign gastric ulcer, and active duodenal ulcer.
Common name
Nizatidine
IUPAC name
dimethyl[(4-{[(2-{[(E)-1-(methylamino)-2-nitroethenyl]amino}ethyl)sulfanyl]methyl}-1,3-thiazol-2-yl)methyl]amine
SMILES
CN\C(NCCSCC1=CSC(CN(C)C)=N1)=C/[N+]([O-])=O
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+
FORMULA
C12H21N5O2S2
Common name
Nizatidine
IUPAC name
dimethyl[(4-{[(2-{[(E)-1-(methylamino)-2-nitroethenyl]amino}ethyl)sulfanyl]methyl}-1,3-thiazol-2-yl)methyl]amine
Molecular weight
331.457
clogP
1.364
clogS
-3.544
HBond Acceptor
4
HBond Donor
2
Total Polar Surface Area
145.54
Number of Rings
1
Rotatable Bond
10
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00040 | ethanamine |
|
CCN | 0.0677 |
| FDBF00052 | methylsulfanylmethane |
|
S(C)C | 0.0072 |
| FDBF00064 | N,N-dimethylmethanamine |
|
N(C)(C)C | 0.0371 |
| FDBF00099 | ethanethiol |
|
CCS | 0.0165 |
| FDBF00113 | 4-methylthiazole |
|
s1cc(nc1)C | 0.0017 |
| FDBF00636 | thiazole |
|
s1cncc1 | 0.0055 |
| FDBF01309 | 2-methylthiazole |
|
Cc1sccn1 | 0.0007 |
| FDBF01310 | N,N-dimethyl-1-thiazol-2-yl-methanamine |
|
C(N(C)C)c1sccn1 | 0.0003 |
| FDBF01313 | 2-methylsulfanylethanamine |
|
CSCCN | 0.0010 |
| FDBF01314 | 1-nitroethylene |
|
O=N(=O)C=C | 0.0010 |
