chempirical

D-4-Thiazolylalanine

C6H8N2O2SCAS 131896-42-9172.20 g/mol

Open in Covalent MOL file
NSOOHNH2
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

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

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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

Similar compounds

(αS)-α-Amino-3-thiophenepropanoic acid3685-51-654 % similar 1-Methyl-L-histidine332-80-952 % similar (αR)-α-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-thiazolepropanoic acid134107-69-049 % similar (αR)-α-Amino-4-pyridinepropanoic acid37535-50-549 % similar Phenylalanine63-91-248 % similar D-Phenylalanine673-06-348 % similar 2-Thienylalanine2021-58-147 % similar D-Histidine351-50-847 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

L-4-Thiazolylalanine119433-80-6 2-Aminobenzenesulfonamide3306-62-5 Ethyl 2-amino-4-thiazolecarboxylate5398-36-7 Sulfanilamide63-74-1 Benzenesulfonyl hydrazide80-17-1 3-Aminobenzenesulfonamide98-18-0

Elsewhere

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