Home Carboxys ethyl 5-[(pyridin-3-yl)amino]-1,3-thiazole-4-carboxylate

ethyl 5-[(pyridin-3-yl)amino]-1,3-thiazole-4-carboxylate

CAS No.:
899896-00-5
Catalog Number:
AG01BCL3
Molecular Formula:
C11H11N3O2S
Molecular Weight:
249.2889
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Product Description
Catalog Number:
AG01BCL3
Chemical Name:
ethyl 5-[(pyridin-3-yl)amino]-1,3-thiazole-4-carboxylate
CAS Number:
899896-00-5
Molecular Formula:
C11H11N3O2S
Molecular Weight:
249.2889
MDL Number:
MFCD20154345
IUPAC Name:
ethyl 5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C11H11N3O2S/c1-2-16-11(15)9-10(17-7-13-9)14-8-4-3-5-12-6-8/h3-7,14H,2H2,1H3
InChI Key:
ZOZGEXLXGABQPK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ncsc1Nc1cccnc1
Properties
Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.057g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
249.288g/mol
Monoisotopic Mass:
249.057g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties