Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03422"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"1,3-Thiazole-4-Carboxylic Acid"
|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the thiazolecarboxylic acids. These are heterocyclic compounds containing a thiazole ring which bears a carboxylic acid group.
Thiazolecarboxylic Acids
Organic Compounds
Heterocyclic Compounds
Azoles
Thiazoles
Polyamines
Enolates
Carboxylic Acids
carboxylic acid derivative
enolate
carboxylic acid
polyamine
organonitrogen compound
logP
0.56
ALOGPS
logS
-1.6
ALOGPS
Water Solubility
3.39e+00 g/l
ALOGPS
logP
0.68
ChemAxon
IUPAC Name
1,3-thiazole-4-carboxylic acid
ChemAxon
Traditional IUPAC Name
1,3-thiazole-4-carboxylic acid
ChemAxon
Molecular Weight
129.137
ChemAxon
Monoisotopic Weight
128.988449035
ChemAxon
SMILES
OC(=O)C1=CSC=N1
ChemAxon
Molecular Formula
C4H3NO2S
ChemAxon
InChI
InChI=1S/C4H3NO2S/c6-4(7)3-1-8-2-5-3/h1-2H,(H,6,7)
ChemAxon
InChIKey
InChIKey=HMVYYTRDXNKRBQ-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
50.19
ChemAxon
Refractivity
28.15
ChemAxon
Polarizability
11.08
ChemAxon
Rotatable Bond Count
1
ChemAxon
H Bond Acceptor Count
3
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest acidic)
3.18
ChemAxon
pKa (strongest basic)
0.059
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
304271
PubChem Substance
46506873
ChemSpider
269062
PDB
TZO
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object