2-(Acetamido)thiazole-4-carboxylic Acid - CAS 50602-38-5
Catalog: |
BB027130 |
Product Name: |
2-(Acetamido)thiazole-4-carboxylic Acid |
CAS: |
50602-38-5 |
Synonyms: |
2-acetamido-4-thiazolecarboxylic acid; 2-acetamido-1,3-thiazole-4-carboxylic acid |
IUPAC Name: | 2-acetamido-1,3-thiazole-4-carboxylic acid |
Description: | 2-(Acetamido)thiazole-4-carboxylic Acid (CAS# 50602-38-5) is a useful research chemical. |
Molecular Weight: | 186.19 |
Molecular Formula: | C6H6N2O3S |
Canonical SMILES: | CC(=O)NC1=NC(=CS1)C(=O)O |
InChI: | InChI=1S/C6H6N2O3S/c1-3(9)7-6-8-4(2-12-6)5(10)11/h2H,1H3,(H,10,11)(H,7,8,9) |
InChI Key: | ZKINQVZUSLLCJY-UHFFFAOYSA-N |
Density: | 1.581 g/cm3 |
MDL: | MFCD00623594 |
LogP: | 0.87270 |
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 |
JP-2020045306-A | Amide derivatives containing heterocycloalkyl rings | 20180918 |
EP-2797885-B1 | New azetidine derivatives, pharmaceutical compositions and uses thereof | 20111229 |
US-2013172312-A1 | Azetidine Derivatives | 20111229 |
US-8530461-B2 | Azetidine derivatives | 20111229 |
WO-2013098373-A1 | New azetidine derivatives, pharmaceutical compositions and uses thereof | 20111229 |
Complexity: | 209 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.00991323 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.00991323 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 108 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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