| CAS Number | 926214-55-3 |
| Catalog Number | AG019UWJ |
| Chemical Name | 2-[2-(2-Methylfuran-3-amido)-1,3-thiazol-4-yl]acetic acid |
| IUPAC Name | 2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid |
| InChI | InChI=1S/C11H10N2O4S/c1-6-8(2-3-17-6)10(16)13-11-12-7(5-18-11)4-9(14)15/h2-3,5H,4H2,1H3,(H,14,15)(H,12,13,16) |
| InChI Key | NPFJVLUVGXJMQV-UHFFFAOYSA-N |
| MDL Number | MFCD09044148 |
| Molecular Formula | C11H10N2O4S |
| Molecular Weight | 266.2731 |
| SMILES | CC1=C(C(NC2SC=C(CC(O)=O)N=2)=O)C=CO1 |
| Synonyms | 2-[2-(2-methylfuran-3-amido)-1,3-thiazol-4-yl]acetic acid,
926214-55-3,
2-{2-[(2-methylfuran-3-)amido]-1,3-thiazol-4-yl}acetic acid,
AC1Q2ET7,
CTK6C5504,
ZINC21957300,
AKOS000128276,
MCULE-6457110215,
NE26292,
EN300-43048,
Z444350056,
{2-[(2-METHYL-3-FUROYL)AMINO]-1,3-THIAZOL-4-YL}ACETIC ACID,
4-Thiazoleacetic acid, 2-[[(2-methyl-3-furanyl)carbonyl]amino],
|
| Complexity | 339 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.271g/mol |
| Monoisotopic Mass | 266.036g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 121A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
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