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158632-91-8 | 2-Thiazolamine, N-[2-ethyl-6-(1-methylethyl)phenyl]-4,5-dihydro-
CAS No: 158632-91-8 Catalog No: AG001QDL MDL No:
Product Description
Catalog Number:
AG001QDL
Chemical Name:
2-Thiazolamine, N-[2-ethyl-6-(1-methylethyl)phenyl]-4,5-dihydro-
CAS Number:
158632-91-8
Molecular Formula:
C14H20N2S
Molecular Weight:
248.3870
IUPAC Name:
N-(2-ethyl-6-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
InChI:
InChI=1S/C14H20N2S/c1-4-11-6-5-7-12(10(2)3)13(11)16-14-15-8-9-17-14/h5-7,10H,4,8-9H2,1-3H3,(H,15,16)
InChI Key:
OWSQTWMGHSUYSW-UHFFFAOYSA-N
SMILES:
CCc1cccc(c1NC1=NCCS1)C(C)C
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.135g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.388g/mol
Monoisotopic Mass:
248.135g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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