Home Carboxys methyl 2-[cyano(cyclopentyl)methyl]-1,3-thiazole-4-carboxylate

methyl 2-[cyano(cyclopentyl)methyl]-1,3-thiazole-4-carboxylate

CAS No.:
1549418-68-9
Catalog Number:
AG01BXFY
Molecular Formula:
C12H14N2O2S
Molecular Weight:
250.3168
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Product Description
Catalog Number:
AG01BXFY
Chemical Name:
methyl 2-[cyano(cyclopentyl)methyl]-1,3-thiazole-4-carboxylate
CAS Number:
1549418-68-9
Molecular Formula:
C12H14N2O2S
Molecular Weight:
250.3168
MDL Number:
MFCD26200489
IUPAC Name:
methyl 2-[cyano(cyclopentyl)methyl]-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C12H14N2O2S/c1-16-12(15)10-7-17-11(14-10)9(6-13)8-4-2-3-5-8/h7-9H,2-5H2,1H3
InChI Key:
JDBUPBODZHHTLC-UHFFFAOYSA-N
SMILES:
COC(=O)c1csc(n1)C(C1CCCC1)C#N
Properties
Complexity:
333  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.078g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.316g/mol
Monoisotopic Mass:
250.078g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
91.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties