D-4-Thiazolylalanine

C6H8N2O2SCAS 131896-42-9172.20 g/mol

Open in Covalent MOL file
NSOHONH2
Carboxylic acidPrimary amine

Properties

Molecular formula
C6H8N2O2S
Molar mass
172.20 g/mol
Exact mass
172.0306 Da
logP
0.10Crippen estimate
Polar surface area
76.2 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3
Stereocentres
Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

Identifiers

CAS number
131896-42-9
SMILES
C1=C(N=CS1)C[C@H](C(=O)O)N
InChIKey
WBZIGVCQRXJYQD-RXMQYKEDSA-N
InChI
InChI=1S/C6H8N2O2S/c7-5(6(9)10)1-4-2-11-3-8-4/h2-3,5H,1,7H2,(H,9,10)/t5-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • (R)-2-Amino-3-(thiazol-4-YL)propanoic acid

Work with D-4-Thiazolylalanine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

L-4-Thiazolylalanine119433-80-6Enantiomer

Similar compounds

Beta-(2-pyridyl)-dl-alanine17407-39-556 % similar 3-(2-Pyridyl)-L-alanine37535-51-656 % similar 3-(2-Pyridyl)-D-alanine37535-52-756 % similar (R)-2-Amino-3-(thiophen-3-yl)propanoic acid152612-26-554 % similar (αS)-α-Amino-3-thiophenepropanoic acid3685-51-654 % similar 1-Methyl-L-histidine332-80-952 % similar Boc-D-4-thiazolylalanine134107-69-049 % similar L-4-Pyridylalanine37535-49-249 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-(Methoxymethyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one175205-07-9 Ethyl 4-methyl-1,2,3-thiadiazole-5-carboxylate18212-20-9 Ethyl 2-aminothiazole-5-carboxylate32955-21-8 2-Aminobenzenesulfonamide3306-62-5 Methyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate3829-80-9 Ethyl 2-aminothiazole-4-carboxylate5398-36-7 Sulfanilamide63-74-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook