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

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

CAS No.:
2138045-14-2
Catalog Number:
AG01EKW7
Molecular Formula:
C12H18N2O4S
Molecular Weight:
286.3473
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Product Description
Catalog Number:
AG01EKW7
Chemical Name:
2-(1-{[(tert-butoxy)carbonyl]amino}ethyl)-5-methyl-1,3-thiazole-4-carboxylic acid
CAS Number:
2138045-14-2
Molecular Formula:
C12H18N2O4S
Molecular Weight:
286.3473
MDL Number:
MFCD31558894
IUPAC Name:
5-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C12H18N2O4S/c1-6(13-11(17)18-12(3,4)5)9-14-8(10(15)16)7(2)19-9/h6H,1-5H3,(H,13,17)(H,15,16)
InChI Key:
BHZYPKDFEHTFOX-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC(c1sc(c(n1)C(=O)O)C)C
Properties
Complexity:
356  
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:
5  
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties