| CAS Number | 1421475-93-5 |
| Catalog Number | AG01FLZ2(AGN-PC-0WCNU2) |
| Chemical Name | 5-Methoxy-N-(pyridin-4-ylmethyl)benzo[d]thiazol-2-amine |
| IUPAC Name | 5-methoxy-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine |
| InChI | InChI=1S/C14H13N3OS/c1-18-11-2-3-13-12(8-11)17-14(19-13)16-9-10-4-6-15-7-5-10/h2-8H,9H2,1H3,(H,16,17) |
| InChI Key | FPCHWMLJCOFBPQ-UHFFFAOYSA-N |
| MDL Number | MFCD22587790 |
| Molecular Formula | C14H13N3OS |
| Molecular Weight | 271.3375 |
| SMILES | COC1C=C2C(=CC=1)SC(NCC3=CC=NC=C3)=N2 |
| Synonyms | 5-methoxy-N-(pyridin-4-ylmethyl)benzo[d]thiazol-2-amine,
1421475-93-5,
ZINC85436325,
AKOS024627663,
MCULE-4435526857,
F2145-1011,
|
| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.338g/mol |
| Monoisotopic Mass | 271.078g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 75.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number