| CAS Number | 263148-02-3 |
| Catalog Number | AG00IQP5(AGN-PC-0R29BU) |
| Chemical Name | (2E)-3-(Dimethylamino)-1-[4-methyl-2-(thiophen-2-yl)-1,3-thiazol-5-yl]prop-2-en-1-one |
| IUPAC Name | 3-(dimethylamino)-1-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)prop-2-en-1-one |
| InChI | InChI=1S/C13H14N2OS2/c1-9-12(10(16)6-7-15(2)3)18-13(14-9)11-5-4-8-17-11/h4-8H,1-3H3 |
| InChI Key | FNNPUEJROIPFAR-UHFFFAOYSA-N |
| MDL Number | MFCD00112078 |
| Molecular Formula | C13H14N2OS2 |
| Molecular Weight | 278.3931 |
| SMILES | S1(C(=NC(=C1C(=O)C=CN(C)C)C)C=2(SC=CC=2)) |
| Synonyms | (2E)-3-(dimethylamino)-1-[4-methyl-2-(thiophen-2-yl)-1,3-thiazol-5-yl]prop-2-en-1-one,
263148-02-3,
KS-00001ZTU,
AKOS030242212,
MCULE-2027914586,
|
| Complexity | 333 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.388g/mol |
| Monoisotopic Mass | 278.055g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 89.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number