| CAS Number | 339020-30-3 |
| Catalog Number | AG00IQMA(AGN-PC-0WAW2X) |
| Chemical Name | (4-Amino-2-(tert-butylamino)thiazol-5-yl)(p-tolyl)methanone |
| IUPAC Name | [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(4-methylphenyl)methanone |
| InChI | InChI=1S/C15H19N3OS/c1-9-5-7-10(8-6-9)11(19)12-13(16)17-14(20-12)18-15(2,3)4/h5-8H,16H2,1-4H3,(H,17,18) |
| InChI Key | JJMGHWPACVUTNM-UHFFFAOYSA-N |
| MDL Number | MFCD01443886 |
| Molecular Formula | C15H19N3OS |
| Molecular Weight | 289.3959 |
| SMILES | CC1=CC=C(C=C1)C(=O)C2=C(N=C(S2)NC(C)(C)C)N |
| Synonyms | 339020-30-3,
[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl](4-methylphenyl)methanone,
N2-tert-butyl-5-(4-methylbenzoyl)-1,3-thiazole-2,4-diamine,
ZINC01398627,
AC1LSACB,
Oprea1_539403,
KS-00001ZN5,
ZINC1398627,
MFCD01443886,
AKOS005101169,
MCULE-5051562552,
7N-776,
[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(4-methylphenyl)methanone,
CID1484817,
|
| Complexity | 348 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.125g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.397g/mol |
| Monoisotopic Mass | 289.125g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 96.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number