Methyl 2-amino-4-thiazoleacetate - CAS 64987-16-2
Catalog: |
BB032609 |
Product Name: |
Methyl 2-amino-4-thiazoleacetate |
CAS: |
64987-16-2 |
Synonyms: |
methyl 2-(2-amino-1,3-thiazol-4-yl)acetate |
IUPAC Name: | methyl 2-(2-amino-1,3-thiazol-4-yl)acetate |
Description: | Methyl 2-amino-4-thiazoleacetate (CAS# 64987-16-2) is a reactant in the preparation of N-[4-(substituted)-1,3-thiazol-2-yl]-2-(substituted)acetamides as antibacterial agents against S. aureus, E. coli, P. aeruginosa, and K. pneumonia. |
Molecular Weight: | 172.20 |
Molecular Formula: | C6H8N2O2S |
Canonical SMILES: | COC(=O)CC1=CSC(=N1)N |
InChI: | InChI=1S/C6H8N2O2S/c1-10-5(9)2-4-3-11-6(7)8-4/h3H,2H2,1H3,(H2,7,8) |
InChI Key: | XTQKFBGFHDNUFY-UHFFFAOYSA-N |
Boiling Point: | 307.3 °C at 760 mmHg |
Density: | 1.353 g/cm3 |
Appearance: | White to beige solid |
MDL: | MFCD00129969 |
LogP: | 1.02200 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020102096-A1 | Compounds and compositions for treating conditions associated with nlrp activity | 20181113 |
TW-202031647-A | Compounds and compositions for treating conditions associated with nlrp activity | 20181113 |
CN-113166065-A | Compounds and compositions for treating conditions associated with NLRP activity | 20181113 |
EP-3880660-A1 | Compounds and compositions for treating conditions associated with nlrp activity | 20181113 |
KR-20210096123-A | Compounds and Compositions for Treating Conditions Associated with NLRP Activity | 20181113 |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.03064868 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.03064868 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 93.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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Oxazole/Thiazole
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