| CAS Number | 1105195-30-9 |
| Catalog Number | AG01AQR7 |
| Chemical Name | N-[3-(dimethylamino)propyl]-4-methoxy-1,3-benzothiazol-2-amine |
| IUPAC Name | N-(4-methoxy-1,3-benzothiazol-2-yl)-N',N'-dimethylpropane-1,3-diamine |
| InChI | InChI=1S/C13H19N3OS/c1-16(2)9-5-8-14-13-15-12-10(17-3)6-4-7-11(12)18-13/h4,6-7H,5,8-9H2,1-3H3,(H,14,15) |
| InChI Key | AYBCWVZAODOWBA-UHFFFAOYSA-N |
| MDL Number | MFCD16653384 |
| Molecular Formula | C13H19N3OS |
| Molecular Weight | 265.3745 |
| SMILES | COC1=C2C(SC(=N2)NCCCN(C)C)=CC=C1 |
| Synonyms | N'-(4-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpropane-1,3-diamine,
1105195-30-9,
ZINC26424004,
AKOS005207742,
F2182-0064,
{3-[(4-methoxy-1,3-benzothiazol-2-yl)amino]propyl}dimethylamine,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.125g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.375g/mol |
| Monoisotopic Mass | 265.125g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 65.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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