| CAS Number | 2007920-92-3 |
| Catalog Number | AG01DXE1 |
| Chemical Name | 1-(2,4-dimethoxyphenyl)-N-(5-fluoro-2,3-dihydro-1,3-thiazol-2-ylidene)methanamine |
| IUPAC Name | N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-1,3-thiazol-2-amine |
| InChI | InChI=1S/C12H13FN2O2S/c1-16-9-4-3-8(10(5-9)17-2)6-14-12-15-7-11(13)18-12/h3-5,7H,6H2,1-2H3,(H,14,15) |
| InChI Key | RFPVMLIIPGNCFR-UHFFFAOYSA-N |
| MDL Number | MFCD30471965 |
| Molecular Formula | C12H13FN2O2S |
| Molecular Weight | 268.3072 |
| SMILES | COc1ccc(CN=c2[nH]cc(F)s2)c(OC)c1 |
| Synonyms | N-(2,4-Dimethoxybenzyl)-5-fluorothiazol-2-amine,
2007920-92-3,
CS-WAA0303,
SCHEMBL20238025,
MFCD30471965,
AKOS030628250,
ZINC498050790,
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| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.306g/mol |
| Monoisotopic Mass | 268.068g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 71.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number