| CAS Number | 402746-07-0 |
| Catalog Number | AG00J04H(AGN-PC-0WB21F) |
| Chemical Name | N-Allyl-4-(4-methylphenyl)-1,3-thiazol-2-amine |
| IUPAC Name | 4-(4-methylphenyl)-N-prop-2-enyl-1,3-thiazol-2-amine |
| InChI | InChI=1S/C13H14N2S/c1-3-8-14-13-15-12(9-16-13)11-6-4-10(2)5-7-11/h3-7,9H,1,8H2,2H3,(H,14,15) |
| InChI Key | UTAXBBYINGDCBY-UHFFFAOYSA-N |
| MDL Number | MFCD01567564 |
| Molecular Formula | C13H14N2S |
| Molecular Weight | 230.3287 |
| SMILES | S1(C(=NC(=C1)C2(=CC=C(C)C=C2))NCC=C) |
| Synonyms | 402746-07-0,
N-Allyl-4-(p-tolyl)thiazol-2-amine,
N-allyl-4-(4-methylphenyl)-1,3-thiazol-2-amine,
(4-(4-METHYLPHENYL)(2,5-THIAZOLYL))PROP-2-ENYLAMINE,
4-(4-methylphenyl)-N-(prop-2-en-1-yl)-1,3-thiazol-2-amine,
AC1N5HRF,
4-(4-methylphenyl)-N-prop-2-enyl-1,3-thiazol-2-amine,
KS-000029AB,
ZINC2380913,
MFCD01567564,
SBB061969,
AKOS000989117,
MCULE-4610991439,
MS-7826,
[4-(4-methylphenyl)(1,3-thiazol-2-yl)]prop-2-enylamine,
CID4195276,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.329g/mol |
| Monoisotopic Mass | 230.088g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 53.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number