Home Carboxys 1-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid

1-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid

CAS No.:
927803-57-4
Catalog Number:
AG019XUO
Molecular Formula:
C10H14N2O2S
Molecular Weight:
226.2954
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Product Description
Catalog Number:
AG019XUO
Chemical Name:
1-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid
CAS Number:
927803-57-4
Molecular Formula:
C10H14N2O2S
Molecular Weight:
226.2954
MDL Number:
MFCD09054881
IUPAC Name:
1-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid
InChI:
InChI=1S/C10H14N2O2S/c1-7-6-15-10(11-7)12-4-2-3-8(5-12)9(13)14/h6,8H,2-5H2,1H3,(H,13,14)
InChI Key:
PPQOXDSSWJFEEK-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCN(C1)c1scc(n1)C
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.078g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
226.294g/mol
Monoisotopic Mass:
226.078g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties