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

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

CAS No.:
1179765-94-6
Catalog Number:
AG01AFHI
Molecular Formula:
C10H14N2O4S
Molecular Weight:
258.2942
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Product Description
Catalog Number:
AG01AFHI
Chemical Name:
5-{[(tert-butoxy)carbonyl]amino}-3-methyl-1,2-thiazole-4-carboxylic acid
CAS Number:
1179765-94-6
Molecular Formula:
C10H14N2O4S
Molecular Weight:
258.2942
MDL Number:
MFCD13159692
IUPAC Name:
3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-thiazole-4-carboxylic acid
InChI:
InChI=1S/C10H14N2O4S/c1-5-6(8(13)14)7(17-12-5)11-9(15)16-10(2,3)4/h1-4H3,(H,11,15)(H,13,14)
InChI Key:
OLQUWEXOEINFHM-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1snc(c1C(=O)O)C
Properties
Complexity:
316  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.067g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
258.292g/mol
Monoisotopic Mass:
258.067g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties