| CAS Number | 308088-19-9 |
| Catalog Number | AG00IW37(AGN-PC-0WAXIH) |
| Chemical Name | 4-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine |
| IUPAC Name | 4-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine |
| InChI | InChI=1S/C14H11ClN4S/c1-8-12(11-6-7-17-14(16)19-11)20-13(18-8)9-2-4-10(15)5-3-9/h2-7H,1H3,(H2,16,17,19) |
| InChI Key | AEVGCUSOXYKFKL-UHFFFAOYSA-N |
| MDL Number | MFCD02090064 |
| Molecular Formula | C14H11ClN4S |
| Molecular Weight | 302.7819 |
| SMILES | ClC3(=CC=C(C=2(SC(C1(=NC(=NC=C1)N))=C(N=2)C))C=C3) |
| Synonyms | 4-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine,
308088-19-9,
4-(2-(4-Chlorophenyl)-4-methylthiazol-5-yl)pyrimidin-2-amine,
AC1MBNRI,
AC1Q2GEY,
Maybridge3_005467,
ZINC84362,
HMS1446I11,
KS-000021IU,
ZX-RL003343,
MFCD02090064,
AKOS015991223,
MCULE-3067376182,
IDI1_016854,
NCGC00183313-01,
OR310091,
9P-706,
ZINC00084362,
CID2728477,
|
| Complexity | 324 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.78g/mol |
| Monoisotopic Mass | 302.039g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 92.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number