Home Carboxys 1-[(1,3-thiazol-2-yl)amino]cyclohexane-1-carboxylic acid

1-[(1,3-thiazol-2-yl)amino]cyclohexane-1-carboxylic acid

CAS No.:
1251353-72-6
Catalog Number:
AG01C7MP
Molecular Formula:
C10H14N2O2S
Molecular Weight:
226.2954
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Product Description
Catalog Number:
AG01C7MP
Chemical Name:
1-[(1,3-thiazol-2-yl)amino]cyclohexane-1-carboxylic acid
CAS Number:
1251353-72-6
Molecular Formula:
C10H14N2O2S
Molecular Weight:
226.2954
MDL Number:
MFCD14618306
IUPAC Name:
1-(1,3-thiazol-2-ylamino)cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C10H14N2O2S/c13-8(14)10(4-2-1-3-5-10)12-9-11-6-7-15-9/h6-7H,1-5H2,(H,11,12)(H,13,14)
InChI Key:
JTFCJUCBDZBABP-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCCCC1)Nc1nccs1
Properties
Complexity:
242  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
226.294g/mol
Monoisotopic Mass:
226.078g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties