| CAS Number | 124458-17-9 |
| Catalog Number | AG00HHNW(AGN-PC-00GDF8) |
| Chemical Name | 2-Anilino-4-(2-aminoethyl)thiazole |
| IUPAC Name | 4-(2-aminoethyl)-N-phenyl-1,3-thiazol-2-amine |
| InChI | InChI=1S/C11H13N3S/c12-7-6-10-8-15-11(14-10)13-9-4-2-1-3-5-9/h1-5,8H,6-7,12H2,(H,13,14) |
| InChI Key | QNLIBPVYYKEUBR-UHFFFAOYSA-N |
| MDL Number | MFCD09998229 |
| Molecular Formula | C11H13N3S |
| Molecular Weight | 219.3060 |
| SMILES | NCCC1=CSC(NC2=CC=CC=C2)=N1 |
| Synonyms | 2-ANILINO-4-(2-AMINOETHYL)THIAZOLE,
124458-17-9,
4-(2-Aminoethyl)-N-phenylthiazol-2-amine,
2-Anilinothiazole-4-ethanamine,
SCHEMBL9385942,
CTK7E7626,
QNLIBPVYYKEUBR-UHFFFAOYSA-N,
AR2324,
MFCD09998229,
ZINC20185408,
AKOS022208733,
2-phenylamino-4-(2-aminoethyl)thiazole,
2-phenylamino-4-(2-aminoethyl)-thiazole,
AS-45327,
CID11797847,
4-(2-aminoethyl)-N-phenyl-1,3-thiazol-2-amine,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.306g/mol |
| Monoisotopic Mass | 219.083g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 79.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number