Home Carboxys 4-methyl-2-(2-phenylpropan-2-yl)-1,3-thiazole-5-carboxylic acid

4-methyl-2-(2-phenylpropan-2-yl)-1,3-thiazole-5-carboxylic acid

CAS No.:
1017449-27-2
Catalog Number:
AG01A462
Molecular Formula:
C14H15NO2S
Molecular Weight:
261.3394
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Product Description
Catalog Number:
AG01A462
Chemical Name:
4-methyl-2-(2-phenylpropan-2-yl)-1,3-thiazole-5-carboxylic acid
CAS Number:
1017449-27-2
Molecular Formula:
C14H15NO2S
Molecular Weight:
261.3394
MDL Number:
MFCD09903627
IUPAC Name:
4-methyl-2-(2-phenylpropan-2-yl)-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C14H15NO2S/c1-9-11(12(16)17)18-13(15-9)14(2,3)10-7-5-4-6-8-10/h4-8H,1-3H3,(H,16,17)
InChI Key:
AGAXYGCCVMGIAZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1sc(nc1C)C(c1ccccc1)(C)C
Properties
Complexity:
313  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.082g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
261.339g/mol
Monoisotopic Mass:
261.082g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties