Home Carboxys ethyl 2-[(prop-2-en-1-yl)amino]-1,3-thiazole-4-carboxylate

ethyl 2-[(prop-2-en-1-yl)amino]-1,3-thiazole-4-carboxylate

CAS No.:
5924-08-3
Catalog Number:
AG019XDL
Molecular Formula:
C9H12N2O2S
Molecular Weight:
212.2688
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Product Description
Catalog Number:
AG019XDL
Chemical Name:
ethyl 2-[(prop-2-en-1-yl)amino]-1,3-thiazole-4-carboxylate
CAS Number:
5924-08-3
Molecular Formula:
C9H12N2O2S
Molecular Weight:
212.2688
MDL Number:
MFCD06251692
IUPAC Name:
ethyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C9H12N2O2S/c1-3-5-10-9-11-7(6-14-9)8(12)13-4-2/h3,6H,1,4-5H2,2H3,(H,10,11)
InChI Key:
PFGIVCNFWXBOPM-UHFFFAOYSA-N
SMILES:
C=CCNc1scc(n1)C(=O)OCC
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.062g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.267g/mol
Monoisotopic Mass:
212.062g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties