| CAS Number | 953732-52-0 |
| Catalog Number | AG019NAQ(AGN-PC-0WOBZ8) |
| Chemical Name | 4-phenyl-5-(propan-2-yl)-1,3-thiazol-2-amine |
| IUPAC Name | 4-phenyl-5-propan-2-yl-1,3-thiazol-2-amine |
| InChI | InChI=1S/C12H14N2S/c1-8(2)11-10(14-12(13)15-11)9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,13,14) |
| InChI Key | IRROOFDKQPHXMI-UHFFFAOYSA-N |
| MDL Number | MFCD09733229 |
| Molecular Formula | C12H14N2S |
| Molecular Weight | 218.3180 |
| SMILES | CC(C1=C(C2=CC=CC=C2)N=C(N)S1)C |
| Synonyms | 953732-52-0,
4-phenyl-5-(propan-2-yl)-1,3-thiazol-2-amine,
5-isopropyl-4-phenyl-1,3-thiazol-2-amine,
5-isopropyl-4-phenylthiazol-2-amine,
AC1Q1OC6,
SCHEMBL14726500,
CTK7E1629,
ZINC22177054,
AKOS000139585,
MCULE-5697502650,
FT-0725548,
EN300-39834,
5-(1-methylethyl)-4-phenyl-1,3-thiazol-2-amine,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.318g/mol |
| Monoisotopic Mass | 218.088g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number