2-Aminothiazoline-4-carboxylic acid

C4H6N2O2SCAS 2150-55-2146.16 g/mol

Open in Covalent MOL file
HNHNOHOS
Carboxylic acidSulfide

Properties

Molecular formula
C4H6N2O2S
Molar mass
146.16 g/mol
Exact mass
146.0150 Da
Melting point
212 °C
Water solubility
1–5 g/L (22.8 °C)
logP
-0.29Crippen estimate
Polar surface area
73.2 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
1

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
2150-55-2
SMILES
N=C1NC(C(=O)O)CS1
InChIKey
VHPXSBIFWDAFMB-UHFFFAOYSA-N
InChI
InChI=1S/C4H6N2O2S/c5-4-6-2(1-9-4)3(7)8/h2H,1H2,(H2,5,6)(H,7,8)

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Names and synonyms

12 names
  • 4-Thiazolecarboxylic acid, 2-amino-4,5-dihydro-
  • NSC 25069
  • 2-Thiazoline-4-carboxylic acid, 2-amino-
  • 2-Amino-4,5-dihydro-4-thiazolecarboxylic acid
  • 2-Iminothiazolidine-4-carboxylic acid
  • DL-2-Aminothiazoline-4-carboxylic acid
  • DL-2-Amino-δ2-thiazoline-4-carboxylic acid
  • DL-2-Amino-2-thiazolin-4-carboxylic acid
  • 2-Amino-2-thiazoline-4-carboxylic acid
  • 2-Imino-1,3-thiazolidine-4-carboxylic acid
  • 2-Amino-4,5-dihydro-1,3-thiazole-4-carboxylic acid
  • 2-Amino-4,5-dihydro-1,3-thiazol-3-ium-4-carboxylate

Work with 2-Aminothiazoline-4-carboxylic acid

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

L-Thioproline34592-47-744 % similar 4-Thiazolidinecarboxylic acid444-27-944 % similar Carbamoyl aspartic acid923-37-543 % similar Thiomorpholine-3-carboxylic acid20960-92-342 % similar Carbamylglutamic acid1188-38-141 % similar Azetidine-2-carboxylic acid2133-34-839 % similar (±)-2-Azetidinecarboxylic acid2517-04-639 % similar D-Azetidine-2-carboxylic acid7729-30-839 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(Methylsulfonyl)-1H-imidazole40736-26-3

Elsewhere

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