Home Carboxys methyl 5-(thiazol-4-yl)-1,3,4-oxadiazole-2-carboxylate

methyl 5-(thiazol-4-yl)-1,3,4-oxadiazole-2-carboxylate

CAS No.:
1564790-64-2
Catalog Number:
AG01BJAB
Molecular Formula:
C7H5N3O3S
Molecular Weight:
211.1979
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Product Description
Catalog Number:
AG01BJAB
Chemical Name:
methyl 5-(thiazol-4-yl)-1,3,4-oxadiazole-2-carboxylate
CAS Number:
1564790-64-2
Molecular Formula:
C7H5N3O3S
Molecular Weight:
211.1979
MDL Number:
MFCD26058746
IUPAC Name:
methyl 5-(1,3-thiazol-4-yl)-1,3,4-oxadiazole-2-carboxylate
InChI:
InChI=1S/C7H5N3O3S/c1-12-7(11)6-10-9-5(13-6)4-2-14-3-8-4/h2-3H,1H3
InChI Key:
LRBBEPJEDQGWSO-UHFFFAOYSA-N
SMILES:
COC(=O)c1nnc(o1)c1ncsc1
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.005g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.195g/mol
Monoisotopic Mass:
211.005g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties