| CAS Number | 1105188-86-0 |
| Catalog Number | AG01FMG7(AGN-PC-0WCOAI) |
| Chemical Name | 7-chloro-4-methyl-N-(3-morpholinopropyl)benzo[d]thiazol-2-amine |
| IUPAC Name | 7-chloro-4-methyl-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazol-2-amine |
| InChI | InChI=1S/C15H20ClN3OS/c1-11-3-4-12(16)14-13(11)18-15(21-14)17-5-2-6-19-7-9-20-10-8-19/h3-4H,2,5-10H2,1H3,(H,17,18) |
| InChI Key | REEOXLMSDJWEBE-UHFFFAOYSA-N |
| MDL Number | MFCD11987015 |
| Molecular Formula | C15H20ClN3OS |
| Molecular Weight | 325.8568 |
| SMILES | O1CCN(CC1)CCCNC2SC3=C(N=2)C(C)=CC=C3Cl |
| Synonyms | 7-chloro-4-methyl-N-(3-morpholinopropyl)benzo[d]thiazol-2-amine,
1105188-86-0,
ZINC26424113,
AKOS005206276,
MCULE-3339997746,
F2182-0096,
7-chloro-4-methyl-N-[3-(morpholin-4-yl)propyl]-1,3-benzothiazol-2-amine,
|
| Complexity | 330 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.102g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.855g/mol |
| Monoisotopic Mass | 325.102g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 65.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number