Home Carboxys 2-(cyclohexylamino)thiazole-4-carboxylic acid

2-(cyclohexylamino)thiazole-4-carboxylic acid

CAS No.:
1355175-62-0
Catalog Number:
AG01BTKE
Molecular Formula:
C10H14N2O2S
Molecular Weight:
226.2954
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Product Description
Catalog Number:
AG01BTKE
Chemical Name:
2-(cyclohexylamino)thiazole-4-carboxylic acid
CAS Number:
1355175-62-0
Molecular Formula:
C10H14N2O2S
Molecular Weight:
226.2954
MDL Number:
MFCD20039801
IUPAC Name:
2-(cyclohexylamino)-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C10H14N2O2S/c13-9(14)8-6-15-10(12-8)11-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,11,12)(H,13,14)
InChI Key:
KMVQBIKCTPSBCZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1csc(n1)NC1CCCCC1
Properties
Complexity:
232  
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:
2.9  
Properties