| CAS Number | 1461714-66-8 |
| Catalog Number | AG01A6LP |
| Chemical Name | 5-methyl-2-{5-methyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl}-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine |
| IUPAC Name | bis(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone |
| InChI | InChI=1S/C15H18N4OS2/c1-18-5-3-9-11(7-18)21-14(16-9)13(20)15-17-10-4-6-19(2)8-12(10)22-15/h3-8H2,1-2H3 |
| InChI Key | SIEIMEFYCZOMNH-UHFFFAOYSA-N |
| MDL Number | MFCD25970345 |
| Molecular Formula | C15H18N4OS2 |
| Molecular Weight | 334.4596 |
| SMILES | CN1CC2=C(N=C(C(C3SC4=C(CCN(C4)C)N=3)=O)S2)CC1 |
| Synonyms | 5-methyl-2-{5-methyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl}-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine,
1461714-66-8,
ZINC95348229,
AKOS033501998,
MCULE-4821479209,
NE48626,
Z1649893351,
|
| Complexity | 413 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 334.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 334.456g/mol |
| Monoisotopic Mass | 334.092g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 106A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number