| CAS Number | 1049742-14-4 |
| Catalog Number | AG019NOW |
| Chemical Name | 4-[2,5-dimethyl-1-(3-methylbutyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-amine hydrochloride |
| IUPAC Name | 4-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-1,3-thiazol-2-amine;hydrochloride |
| InChI | InChI=1S/C14H21N3S.ClH/c1-9(2)5-6-17-10(3)7-12(11(17)4)13-8-18-14(15)16-13;/h7-9H,5-6H2,1-4H3,(H2,15,16);1H |
| InChI Key | KWVYPJRHUJPWTG-UHFFFAOYSA-N |
| MDL Number | MFCD07290044 |
| Molecular Formula | C14H22ClN3S |
| Molecular Weight | 299.8626 |
| SMILES | Cl.CC(CCN1C(C)=C(C2N=C(N)SC=2)C=C1C)C |
| Synonyms | 4-[2,5-dimethyl-1-(3-methylbutyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-amine hydrochloride,
1049742-14-4,
MLS000566389,
SMR000153492,
SR-01000062997,
CHEMBL1516803,
CTK6A7729,
AC1Q3928,
AKOS034475780,
MCULE-7582718517,
NE42293,
EN300-11385,
SR-01000062997-1,
Z57980340,
CID9551910,
|
| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.861g/mol |
| Monoisotopic Mass | 299.122g/mol |
| Rotatable Bond Count | 4 |
| 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