(1s,2s)-1-Amino-1-(1,3-Thiazol-2-Yl)Propan-2-Ol

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group.

Aralkylamines

Organic compounds

Organonitrogen compounds

Amines

Aralkylamines

Calculated Property

kind Value Source
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 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon