CCS(=O)C1=NC=C(S1)C(=O)NCCCCC#C
Name: 2-ethylsulfinyl-N-hex-5-ynyl-1,3-thiazole-5-carboxamide
SMILES: CCS(=O)C1=NC=C(S1)C(=O)NCCCCC#C

Molecular Processing

Molecular formula
C12H16N2O2S2
Molecular weight
284.41
Exact mass
284.0653
XLogP
1.8
TPSA
59.06
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
74.08

Supplementary Information

InChIKey: XVACSNRPZNXJTM-UHFFFAOYSA-N
Synonyme
SCHEMBL11719606XVACSNRPZNXJTM-UHFFFAOYSA-N2-ethylsulfinyl-5-(hex-5-ynylaminocarbonyl)thiazole
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