| CAS Number | 861211-22-5 |
| Catalog Number | AG00ISG2(AGN-PC-0WASMY) |
| Chemical Name | (E)-N'-(5-(4-methoxybenzoyl)thiazol-2-yl)-N,N-dimethylformimidamide |
| IUPAC Name | N'-[5-(4-methoxybenzoyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide |
| InChI | InChI=1S/C14H15N3O2S/c1-17(2)9-16-14-15-8-12(20-14)13(18)10-4-6-11(19-3)7-5-10/h4-9H,1-3H3 |
| InChI Key | ISAPSSRLTVHWFS-UHFFFAOYSA-N |
| MDL Number | MFCD04124983 |
| Molecular Formula | C14H15N3O2S |
| Molecular Weight | 289.3528 |
| SMILES | CN(C)/C=N/C1=NC=C(S1)C(=O)C2=CC=C(C=C2)OC |
| Synonyms | 861211-22-5,
N'-[5-(4-methoxybenzoyl)-1,3-thiazol-2-yl]-N,N-dimethyliminoformamide,
AC1MXRUW,
N'-[5-(4-methoxybenzoyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide,
(E)-N'-[5-(4-methoxybenzoyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide,
HMS2404B18,
KS-00001V3N,
ZINC20367879,
AKOS030244377,
MCULE-4043377752,
MLS000547293,
CID3795125,
|
| Complexity | 354 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.353g/mol |
| Monoisotopic Mass | 289.088g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 83A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number