| CAS Number | 886497-31-0 |
| Catalog Number | AG01EYC6(AGN-PC-3H48HP) |
| Chemical Name | Ethyl 2-(1H-indol-3-yl)-4-methylthiazole-5-carboxylate |
| IUPAC Name | ethyl 2-(1H-indol-3-yl)-4-methyl-1,3-thiazole-5-carboxylate |
| InChI | InChI=1S/C15H14N2O2S/c1-3-19-15(18)13-9(2)17-14(20-13)11-8-16-12-7-5-4-6-10(11)12/h4-8,16H,3H2,1-2H3 |
| InChI Key | HCDJPXTYNKXBHO-UHFFFAOYSA-N |
| MDL Number | MFCD06739814 |
| Molecular Formula | C15H14N2O2S |
| Molecular Weight | 286.3489 |
| SMILES | C1(=NC(=C(C(OCC)=O)S1)C)C1C2C=CC=CC=2NC=1 |
| Synonyms | 886497-31-0,
Ethyl 2-(1H-indol-3-yl)-4-methylthiazole-5-carboxylate,
2-(1H-Indol-3-yl)-4-methyl-thiazole-5-carboxylic acid ethyl ester,
ZINC04294191,
AC1OGS0Y,
CTK6F7970,
ZINC4294191,
ethyl 2-indol-3-ylidene-4-methyl-3H-1,3-thiazole-5-carboxylate,
2-(1H-INDOL-3-YL)-4-METHYL-THIAZOLE-5-CARBOXYLICACID ETHYL ESTER,
CID7174177,
|
| Complexity | 366 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.349g/mol |
| Monoisotopic Mass | 286.078g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 83.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number