L-4-Thiazolylalanine

C6H8N2O2SCAS 119433-80-6172.20 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
Sin SMILES atom order

Hazards

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

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Identifiers

CAS number
119433-80-6
SMILES
C1=C(N=CS1)C[C@@H](C(=O)O)N
InChIKey
WBZIGVCQRXJYQD-YFKPBYRVSA-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-/m0/s1

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Names and synonyms

1 names
  • Thiazolylalanine

Work with L-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.

D-4-Thiazolylalanine131896-42-9Enantiomer

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

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