| CAS Number | 1251922-72-1 |
| Catalog Number | AG01A9SP |
| Chemical Name | 4-Cyclopropyl-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine |
| IUPAC Name | 4-cyclopropyl-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine |
| InChI | InChI=1S/C13H13FN2S/c14-10-5-1-8(2-6-10)7-11-12(9-3-4-9)16-13(15)17-11/h1-2,5-6,9H,3-4,7H2,(H2,15,16) |
| InChI Key | CTRGQBRBYCWKMM-UHFFFAOYSA-N |
| MDL Number | MFCD16817440 |
| Molecular Formula | C13H13FN2S |
| Molecular Weight | 248.3191 |
| SMILES | NC1SC(CC2=CC=C(F)C=C2)=C(C2CC2)N=1 |
| Synonyms | 4-cyclopropyl-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine,
1251922-72-1,
AC1Q52P6,
SCHEMBL18113767,
ZINC50227595,
AKOS011345227,
MCULE-4414213095,
NE46566,
EN300-66032,
Z1262398447,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.319g/mol |
| Monoisotopic Mass | 248.078g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number