| CAS Number | 1049726-50-2 |
| Catalog Number | AG019ITP |
| Chemical Name | 4-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-amine hydrochloride |
| IUPAC Name | 4-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-1,3-thiazol-2-amine;hydrochloride |
| InChI | InChI=1S/C16H17N3S.ClH/c1-10-4-6-13(7-5-10)19-11(2)8-14(12(19)3)15-9-20-16(17)18-15;/h4-9H,1-3H3,(H2,17,18);1H |
| InChI Key | NTGZYSLHDRIZGS-UHFFFAOYSA-N |
| MDL Number | MFCD07286291 |
| Molecular Formula | C16H18ClN3S |
| Molecular Weight | 319.8522 |
| SMILES | Cl.CC1N(C2=CC=C(C)C=C2)C(C)=C(C2N=C(N)SC=2)C=1 |
| Synonyms | 4-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-amine hydrochloride,
1049726-50-2,
MLS000389495,
SMR000255768,
SR-01000048908,
AC1Q39ER,
CHEMBL1379843,
CTK6B8529,
MCULE-4826583298,
NE46329,
EN300-07695,
SR-01000048908-1,
Z56957566,
|
| Complexity | 330 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 319.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 319.851g/mol |
| Monoisotopic Mass | 319.091g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number