Home Carboxys methyl 4-amino-3-(2-methylphenyl)-1,2-thiazole-5-carboxylate

methyl 4-amino-3-(2-methylphenyl)-1,2-thiazole-5-carboxylate

CAS No.:
1463500-53-9
Catalog Number:
AG01AG7J
Molecular Formula:
C12H12N2O2S
Molecular Weight:
248.3009
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Product Description
Catalog Number:
AG01AG7J
Chemical Name:
methyl 4-amino-3-(2-methylphenyl)-1,2-thiazole-5-carboxylate
CAS Number:
1463500-53-9
Molecular Formula:
C12H12N2O2S
Molecular Weight:
248.3009
MDL Number:
MFCD21555158
IUPAC Name:
methyl 4-amino-3-(2-methylphenyl)-1,2-thiazole-5-carboxylate
InChI:
InChI=1S/C12H12N2O2S/c1-7-5-3-4-6-8(7)10-9(13)11(17-14-10)12(15)16-2/h3-6H,13H2,1-2H3
InChI Key:
XTVHCCQSRGQEQU-UHFFFAOYSA-N
SMILES:
COC(=O)c1snc(c1N)c1ccccc1C
Properties
Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.062g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
248.3g/mol
Monoisotopic Mass:
248.062g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties