| CAS Number | 380431-15-2 |
| Catalog Number | AG019H48 |
| Chemical Name | N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine |
| IUPAC Name | N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine |
| InChI | InChI=1S/C18H17N3S2/c1-12-3-8-16-15(11-12)21-17(23-16)13-4-6-14(7-5-13)20-18-19-9-2-10-22-18/h3-8,11H,2,9-10H2,1H3,(H,19,20) |
| InChI Key | IOJGANSGYODFJB-UHFFFAOYSA-N |
| MDL Number | MFCD03150682 |
| Molecular Formula | C18H17N3S2 |
| Molecular Weight | 339.4777 |
| SMILES | CC1=CC2=C(SC(C3=CC=C(NC4SCCCN=4)C=C3)=N2)C=C1 |
| Synonyms | N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine,
380431-15-2,
(5,6-Dihydro-4H-[1,3]thiazin-2-yl)-[4-(5-methyl-benzothiazol-2-yl)-phenyl]-amine,
AC1Q2OBR,
CTK6C0478,
AC1M6544,
ZINC3223741,
AKOS000116067,
MCULE-3501086884,
NE44788,
EN300-02486,
Z56824363,
ZINC03223741,
CID2342028,
|
| Complexity | 434 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 339.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 339.475g/mol |
| Monoisotopic Mass | 339.086g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 90.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
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Certificate of Analysis
Lot Number