Marvin  06011214192D          

  9  9  0  0  0  0            999 V2000
   16.9066  -12.8944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   18.6243  -11.0435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4682  -10.2036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4940  -11.6249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4546  -12.6645    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.3190  -11.6248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5740  -12.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2391  -12.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8038  -10.9573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  9  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
M  END
> <ID>
CHEBI:64777

> <NAME>
2-amino-Delta(2)-thiazoline-4-carboxylic acid

> <DEFINITION>
A 1,3-thiazole that is 4,5-dihydro-1,3-thiazole which is substituted at positions 2 and 4 by an amino and a carboxy group, respectively.

> <STAR>
3

> <SYNONYM>
2-Amino-delta(2)-thiazoline-4-carboxylic acid; 2-amino-4-carboxythiazoline; 2-amino-2-thiazoline-4-carboxylic acid

> <IUPAC_NAME>
2-amino-4,5-dihydro-1,3-thiazole-4-carboxylic acid

> <FORMULA>
C4H6N2O2S

> <MASS>
146.16800

> <MONOISOTOPIC_MASS>
146.01500

> <CHARGE>
0

> <SMILES>
NC1=NC(CS1)C(O)=O

> <INCHI>
InChI=1S/C4H6N2O2S/c5-4-6-2(1-9-4)3(7)8/h2H,1H2,(H2,5,6)(H,7,8)

> <INCHIKEY>
VHPXSBIFWDAFMB-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
2150-55-2

> <REAXYS_REGISTRY_NUMBER>
82360

> <CHEMIDPLUS>
2150-55-2

> <PUBMED_CITATION>
22350333; 22353743

$$$$