| CAS Number | 68729-05-5 |
| Catalog Number | AG01E859(AGN-PC-0WCN77) |
| Chemical Name | 4-[4-(Phenylmethyl)phenyl]-2-thiazolamine |
| IUPAC Name | 4-(4-benzylphenyl)-1,3-thiazol-2-amine |
| InChI | InChI=1S/C16H14N2S/c17-16-18-15(11-19-16)14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,17,18) |
| InChI Key | XYDVHKCVOMGRSY-UHFFFAOYSA-N |
| MDL Number | MFCD01816130 |
| Molecular Formula | C16H14N2S |
| Molecular Weight | 266.3608 |
| SMILES | N1=C(SC=C1C=2C=CC(=CC2)CC=3C=CC=CC3)N |
| Synonyms | 4-(4-benzylphenyl)-1,3-thiazol-2-amine,
68729-05-5,
CHEMBL3883608,
1V6,
AC1MXOJG,
4l2l,
ARM-1,
Oprea1_110562,
Oprea1_716646,
SCHEMBL18074821,
ZINC3722646,
BBL020883,
BDBM50197084,
STK893589,
4-(4-benzylphenyl) thiazol-2 amine,
AKOS005207343,
L-3543,
F0745-0141,
ZINC03722646,
CID3768902,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.362g/mol |
| Monoisotopic Mass | 266.088g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number