Home Carboxys 2-(2-{[(tert-butoxy)carbonyl]amino}ethyl)-5-methyl-1,3-thiazole-4-carboxylic acid

2-(2-{[(tert-butoxy)carbonyl]amino}ethyl)-5-methyl-1,3-thiazole-4-carboxylic acid

CAS No.:
2095670-49-6
Catalog Number:
AG01EL2V
Molecular Formula:
C12H18N2O4S
Molecular Weight:
286.3473
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Product Description
Catalog Number:
AG01EL2V
Chemical Name:
2-(2-{[(tert-butoxy)carbonyl]amino}ethyl)-5-methyl-1,3-thiazole-4-carboxylic acid
CAS Number:
2095670-49-6
Molecular Formula:
C12H18N2O4S
Molecular Weight:
286.3473
MDL Number:
MFCD31542438
IUPAC Name:
5-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C12H18N2O4S/c1-7-9(10(15)16)14-8(19-7)5-6-13-11(17)18-12(2,3)4/h5-6H2,1-4H3,(H,13,17)(H,15,16)
InChI Key:
IADZUDGPZFPDQQ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCCc1sc(c(n1)C(=O)O)C
Properties
Complexity:
343  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.099g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
286.346g/mol
Monoisotopic Mass:
286.099g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties