Ethyl 2-(Boc-aminomethyl)thiazole-4-carboxylate - CAS 96929-05-4
Catalog: |
BB042019 |
Product Name: |
Ethyl 2-(Boc-aminomethyl)thiazole-4-carboxylate |
CAS: |
96929-05-4 |
Synonyms: |
2-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-4-thiazolecarboxylic acid ethyl ester; ethyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazole-4-carboxylate |
IUPAC Name: | ethyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazole-4-carboxylate |
Description: | Ethyl 2-(Boc-aminomethyl)thiazole-4-carboxylate (CAS# 96929-05-4) is a useful research chemical. |
Molecular Weight: | 286.35 |
Molecular Formula: | C12H18N2O4S |
Canonical SMILES: | CCOC(=O)C1=CSC(=N1)CNC(=O)OC(C)(C)C |
InChI: | InChI=1S/C12H18N2O4S/c1-5-17-10(15)8-7-19-9(14-8)6-13-11(16)18-12(2,3)4/h7H,5-6H2,1-4H3,(H,13,16) |
InChI Key: | IIBLNWWFRAOZDR-UHFFFAOYSA-N |
Boiling Point: | 401.377 °C at 760 mmHg |
Density: | 1.205 g/cm3 |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD09878704 |
LogP: | 2.73540 |
Publication Number | Title | Priority Date |
EP-3628672-A1 | Indane derivatives for use in the treatment of bacterial infection | 20180925 |
WO-2020064175-A1 | Indane derivatives for use in the treatment of bacterial infection | 20180925 |
US-2019031650-A1 | Dna alkylation and cross-linking agents as compounds and payloads for targeted therapies | 20160129 |
AU-6157900-A | Method for producing 2-aminomethyl-4-cyano-thiazol | 19990723 |
CA-2380084-C | A process for preparing 2-aminomethyl-4-cyano-thiazole | 19990723 |
Complexity: | 330 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 286.09872823 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 286.09872823 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 106 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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