| CAS Number | 1170432-25-3 |
| Catalog Number | AG019ITU |
| Chemical Name | 4-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-1,3-thiazol-2-amine hydrochloride |
| IUPAC Name | 4-(1-benzyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-amine;hydrochloride |
| InChI | InChI=1S/C16H17N3S.ClH/c1-11-8-14(15-10-20-16(17)18-15)12(2)19(11)9-13-6-4-3-5-7-13;/h3-8,10H,9H2,1-2H3,(H2,17,18);1H |
| InChI Key | YBNCXSBJGQVORN-UHFFFAOYSA-N |
| MDL Number | MFCD08447173 |
| Molecular Formula | C16H18ClN3S |
| Molecular Weight | 319.8522 |
| SMILES | Cl.CC1N(CC2=CC=CC=C2)C(C)=C(C2N=C(N)SC=2)C=1 |
| Synonyms | 4-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-1,3-thiazol-2-amine hydrochloride,
1170432-25-3,
AC1Q39EX,
CTK7E1729,
EN300-07700,
Z271137972,
4-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)thiazol-2-amine hydrochloride,
|
| Complexity | 319 |
| 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 | 3 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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