5-Amino-2-methylthiazole-4-carboxylic acid ethyl ester - CAS 31785-05-4
Catalog: |
BB021061 |
Product Name: |
5-Amino-2-methylthiazole-4-carboxylic acid ethyl ester |
CAS: |
31785-05-4 |
Synonyms: |
ethyl 5-amino-2-methyl-1,3-thiazole-4-carboxylate |
IUPAC Name: | ethyl 5-amino-2-methyl-1,3-thiazole-4-carboxylate |
Description: | 5-Amino-2-methylthiazole-4-carboxylic acid ethyl ester (CAS# 31785-05-4) is a useful research chemical. |
Molecular Weight: | 186.23 |
Molecular Formula: | C7H10N2O2S |
Canonical SMILES: | CCOC(=O)C1=C(SC(=N1)C)N |
InChI: | InChI=1S/C7H10N2O2S/c1-3-11-7(10)5-6(8)12-4(2)9-5/h3,8H2,1-2H3 |
InChI Key: | HNDBOQZBZYRXMF-UHFFFAOYSA-N |
Boiling Point: | 301.941 °C at 760 mmHg |
Purity: | 97 % |
Density: | 1.284 g/cm3 |
Appearance: | Solid |
MDL: | MFCD07357418 |
LogP: | 1.79160 |
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, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112661754-A | Polycyclic compound for inhibiting RNA helicase DHX33 | 20201230 |
WO-2020231726-A1 | Small-molecule focal adhesion kinase (fak) inhibitors | 20190510 |
AU-2018339068-A1 | Combination pharmaceutical agents as RSV inhibitors | 20170929 |
CA-3077309-A1 | Combination pharmaceutical agents as rsv inhibitors | 20170929 |
TW-201919640-A | Combination agent as an RSV inhibitor | 20170929 |
Complexity: | 177 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.04629874 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.04629874 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 93.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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Related Functional Groups
Oxazole/Thiazole
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