| CAS Number | 917562-33-5 |
| Catalog Number | AG01EE7M |
| Chemical Name | 2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)acetamide |
| IUPAC Name | 2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)acetamide |
| InChI | InChI=1S/C16H19ClN2O3S/c1-21-9-3-8-19(15(20)10-17)16-18-14(11-23-16)12-4-6-13(22-2)7-5-12/h4-7,11H,3,8-10H2,1-2H3 |
| InChI Key | KZMAWJRXKGLWGS-UHFFFAOYSA-N |
| MDL Number | MFCD08899142 |
| Molecular Formula | C16H19ClN2O3S |
| Molecular Weight | 354.8517 |
| SMILES | COC1=CC=C(C=C1)C2=CSC(N(CCCOC)C(CCl)=O)=N2 |
| Synonyms | JT010,
JT-010,
917562-33-5,
GTPL10275,
ZINC12701772,
AKOS000745864,
MCULE-3126296817,
molecule 1 [PMID: 26630251],
JT010, >=98% (HPLC),
HY-111132,
CS-0034348,
J3.537.148F,
2-Chloro-N-[4-(4-methoxyphenyl)-2-thiazolyl]-N-(3-methoxypropyl)acetamide,
2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)acetamide,
|
| Complexity | 367 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 354.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 354.849g/mol |
| Monoisotopic Mass | 354.08g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 79.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number