CC1=C(SC(=N1)N2CCN(C2=O)CC3=CC4=NSN=C4C=C3)C(=O)NCC5=CN=CC=C5
Name: 2-[3-(2,1,3-benzothiadiazol-5-ylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILES: CC1=C(SC(=N1)N2CCN(C2=O)CC3=CC4=NSN=C4C=C3)C(=O)NCC5=CN=CC=C5

Molecular Processing

Molecular formula
C21H19N7O2S2
Molecular weight
465.56
Exact mass
465.1042
XLogP
3.22
TPSA
104.21
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
32
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
122.83

Supplementary Information

InChIKey: NXBUAZOPYHQQSB-UHFFFAOYSA-N
Synonyme
SCHEMBL244744NXBUAZOPYHQQSB-UHFFFAOYSA-N2-(3-(benzo[c][1,2,5]thiadiazol-5-ylmethyl)-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
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