| CAS Number | 556018-55-4 |
| Catalog Number | AG019IG0 |
| Chemical Name | N-butyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine |
| IUPAC Name | N-butyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine |
| InChI | InChI=1S/C13H15FN2S/c1-2-3-8-15-13-16-12(9-17-13)10-4-6-11(14)7-5-10/h4-7,9H,2-3,8H2,1H3,(H,15,16) |
| InChI Key | VFSCDYHJJLPKRQ-UHFFFAOYSA-N |
| MDL Number | MFCD04611999 |
| Molecular Formula | C13H15FN2S |
| Molecular Weight | 250.3350 |
| SMILES | CCCCNC1SC=C(C2=CC=C(F)C=C2)N=1 |
| Synonyms | N-butyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine,
556018-55-4,
Butyl-[4-(4-fluoro-phenyl)-thiazol-2-yl]-amine,
AC1M71AS,
AC1Q2X5N,
CTK6E2906,
ZINC3342644,
AKOS000117147,
MCULE-8551274914,
NE58535,
EN300-06612,
Z48858180,
ZINC03342644,
CID2459087,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.335g/mol |
| Monoisotopic Mass | 250.094g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 53.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number