Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03724"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"(1s,2s)-1-Amino-1-(1,3-Thiazol-2-Yl)Propan-2-Ol"
|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the thiazoles. These are heterocyclic compounds containing a five-member aromatic ring made up of one sulfur atom, one nitrogen, and three carbon atoms.
Thiazoles
Organic Compounds
Heterocyclic Compounds
Azoles
Thiazoles
Secondary Alcohols
1,2-Aminoalcohols
Polyamines
Monoalkylamines
1,2-aminoalcohol
secondary alcohol
polyamine
primary amine
amine
primary aliphatic amine
alcohol
organonitrogen compound
logP
-0.28
ALOGPS
logS
-1.4
ALOGPS
Water Solubility
5.67e+00 g/l
ALOGPS
logP
-0.23
ChemAxon
IUPAC Name
(1R,2R)-1-amino-1-(1,3-thiazol-2-yl)propan-2-ol
ChemAxon
Traditional IUPAC Name
(1R,2R)-1-amino-1-(1,3-thiazol-2-yl)propan-2-ol
ChemAxon
Molecular Weight
158.221
ChemAxon
Monoisotopic Weight
158.051383642
ChemAxon
SMILES
C[C@@H](O)[C@@H](N)C1=NC=CS1
ChemAxon
Molecular Formula
C6H10N2OS
ChemAxon
InChI
InChI=1S/C6H10N2OS/c1-4(9)5(7)6-8-2-3-10-6/h2-5,9H,7H2,1H3/t4-,5-/m1/s1
ChemAxon
InChIKey
InChIKey=QWDNYLFSFTUIKH-RFZPGFLSSA-N
ChemAxon
Polar Surface Area (PSA)
59.14
ChemAxon
Refractivity
39.52
ChemAxon
Polarizability
15.97
ChemAxon
Rotatable Bond Count
2
ChemAxon
H Bond Acceptor Count
3
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
14.54
ChemAxon
pKa (strongest basic)
7.67
ChemAxon
Physiological Charge
1
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
46936770
PubChem Substance
46505336
PDB
XAA
"
|
| 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