Name: 2-ethylsulfonyl-5-(5-methylhex-3-ynylaminocarbonyl)thiazole
SMILES:
CCS(=O)(=O)c1ncc(C(=O)NCCC#CC(C)C)s1Molecular Processing
Molecular formula
C13H18N2O3S2
Molecular weight
314.43
Exact mass
314.0759
XLogP
1.72
TPSA
76.13
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
79.41
Supplementary Information
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