| CAS Number | 1105190-90-6 |
| Catalog Number | AG01ARKG(AGN-PC-0WCNLQ) |
| Chemical Name | 2-{5-oxo-2H,3H,5H,6H,7H,8H,9H-[1,3]thiazolo[2,3-b]quinazolin-3-yl}acetic acid |
| IUPAC Name | 2-(5-oxo-2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-3-yl)acetic acid |
| InChI | InChI=1S/C12H14N2O3S/c15-10(16)5-7-6-18-12-13-9-4-2-1-3-8(9)11(17)14(7)12/h7H,1-6H2,(H,15,16) |
| InChI Key | WKBCPRLIIIVMBL-UHFFFAOYSA-N |
| MDL Number | MFCD11518878 |
| Molecular Formula | C12H14N2O3S |
| Molecular Weight | 266.3162 |
| SMILES | OC(CC1N2C(=NC3=C(C2=O)CCCC3)SC1)=O |
| Synonyms | (5-Oxo-2,3,6,7,8,9-hexahydro-5H-[1,3]thiazolo[2,3-b]quinazolin-3-yl)acetic acid,
1105190-90-6,
AKOS015956262,
MCULE-4079448278,
L-3828,
F2135-0504,
{5-oxo-2H,3H,6H,7H,8H,9H-[1,3]thiazolo[2,3-b]quinazolin-3-yl}acetic acid,
|
| Complexity | 484 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.315g/mol |
| Monoisotopic Mass | 266.073g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 95.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number