CC(C)(C)C1=NC2=C(S1)C=C(C(=C2)N3CCN(CC3)C)N
Nombre: 2-tert-butyl-5-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-amine
SMILES: CC(C)(C)C1=NC2=C(S1)C=C(C(=C2)N3CCN(CC3)C)N

Molecular Processing

Molecular formula
C16H24N4S
Molecular weight
304.46
Exact mass
304.1722
XLogP
2.93
TPSA
45.39
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
92.44

Supplementary Information

InChIKey: DFIISGISJNOHRQ-UHFFFAOYSA-N
Sinónimos
SCHEMBL9455381DFIISGISJNOHRQ-UHFFFAOYSA-N6-amino-2-tert-butyl-5-(4-methylpiperazin-1-yl)benzothiazole
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