| CAS Number | 1204297-21-1 |
| Catalog Number | AG01FM2L(AGN-PC-0WCO6B) |
| Chemical Name | N-(3-(1H-imidazol-1-yl)propyl)-7-chloro-4-methylbenzo[d]thiazol-2-amine |
| IUPAC Name | 7-chloro-N-(3-imidazol-1-ylpropyl)-4-methyl-1,3-benzothiazol-2-amine |
| InChI | InChI=1S/C14H15ClN4S/c1-10-3-4-11(15)13-12(10)18-14(20-13)17-5-2-7-19-8-6-16-9-19/h3-4,6,8-9H,2,5,7H2,1H3,(H,17,18) |
| InChI Key | JZUFNBWMODHDTD-UHFFFAOYSA-N |
| MDL Number | MFCD16631825 |
| Molecular Formula | C14H15ClN4S |
| Molecular Weight | 306.8137 |
| SMILES | C1=CN(C=N1)CCCNC2SC3=C(N=2)C(C)=CC=C3Cl |
| Synonyms | N-(3-(1H-imidazol-1-yl)propyl)-7-chloro-4-methylbenzo[d]thiazol-2-amine,
1204297-21-1,
ZINC36657645,
AKOS015957487,
MCULE-9439594145,
F2158-0845,
7-chloro-N-[3-(imidazol-1-yl)propyl]-4-methyl-1,3-benzothiazol-2-amine,
|
| Complexity | 320 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 306.812g/mol |
| Monoisotopic Mass | 306.071g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 71A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number