Home Carboxys 2-piperidin-1-yl-1,3-thiazole-4-carboxylic acid

2-piperidin-1-yl-1,3-thiazole-4-carboxylic acid

CAS No.:
952182-68-2
Catalog Number:
AG00IIUD
Molecular Formula:
C9H12N2O2S
Molecular Weight:
212.2688
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Product Description
Catalog Number:
AG00IIUD
Chemical Name:
2-piperidin-1-yl-1,3-thiazole-4-carboxylic acid
CAS Number:
952182-68-2
Molecular Formula:
C9H12N2O2S
Molecular Weight:
212.2688
MDL Number:
MFCD09027189
IUPAC Name:
2-piperidin-1-yl-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C9H12N2O2S/c12-8(13)7-6-14-9(10-7)11-4-2-1-3-5-11/h6H,1-5H2,(H,12,13)
InChI Key:
CTYVDXOBZLKERL-UHFFFAOYSA-N
SMILES:
OC(=O)c1csc(n1)N1CCCCC1
Properties
Complexity:
219  
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:
2  
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties