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820231-00-3 | Carbamic acid, [2-(2-amino-5-thiazolyl)ethyl]-, 1,1-dimethylethyl ester
CAS No: 820231-00-3 Catalog No: AG0053OO MDL No:
Product Description
Catalog Number:
AG0053OO
Chemical Name:
Carbamic acid, [2-(2-amino-5-thiazolyl)ethyl]-, 1,1-dimethylethyl ester
CAS Number:
820231-00-3
Molecular Formula:
C10H17N3O2S
Molecular Weight:
243.3259
IUPAC Name:
tert-butyl N-[2-(2-amino-1,3-thiazol-5-yl)ethyl]carbamate
InChI:
InChI=1S/C10H17N3O2S/c1-10(2,3)15-9(14)12-5-4-7-6-13-8(11)16-7/h6H,4-5H2,1-3H3,(H2,11,13)(H,12,14)
InChI Key:
NLWWBGRPAZGBPU-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCCc1cnc(s1)N
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.104g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.325g/mol
Monoisotopic Mass:
243.104g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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