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100289-16-5 | Ethanone, 1-(2-amino-4-ethyl-5-thiazolyl)-
CAS No: 100289-16-5 Catalog No: AG0001GQ MDL No:MFCD20717113
Product Description
Catalog Number:
AG0001GQ
Chemical Name:
Ethanone, 1-(2-amino-4-ethyl-5-thiazolyl)-
CAS Number:
100289-16-5
Molecular Formula:
C7H10N2OS
Molecular Weight:
170.2321
MDL Number:
MFCD20717113
IUPAC Name:
1-(2-amino-4-ethyl-1,3-thiazol-5-yl)ethanone
InChI:
InChI=1S/C7H10N2OS/c1-3-5-6(4(2)10)11-7(8)9-5/h3H2,1-2H3,(H2,8,9)
InChI Key:
XSOPWSQDEZXMFR-UHFFFAOYSA-N
SMILES:
CCc1nc(sc1C(=O)C)N
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.051g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.23g/mol
Monoisotopic Mass:
170.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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