C1=C(N=C(S1)NC(=NCC(F)(F)F)N)CCCCN=C=S
이름: 1-[4-(4-isothiocyanatobutyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethyl)guanidine
SMILES: C1=C(N=C(S1)NC(=NCC(F)(F)F)N)CCCCN=C=S

Molecular Processing

Molecular formula
C11H14F3N5S2
Molecular weight
337.4
Exact mass
337.0643
XLogP
2.86
TPSA
75.66
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.545
Molar refractivity
81.11

Supplementary Information

InChIKey: ACXRPCYKZAVBPD-UHFFFAOYSA-N
동의어
2-[2-(2,2,2-trifluoroethyl)guanidino]-(4-isothiocyanatobutyl)thiazole2-[2-(2,2,2-trifluoroethyl)guanidino]-4-(4-isothiocyanatobutyl)thiazole2-[2-(2,2,2-trifluoroethyl)guanidino]-4-[4-isothiocyanatobutyl]thiazoleSCHEMBL10675278SCHEMBL106752852-[2-(2,2,2-trifluoroethyl)-guanidino]-4-(4-isothiocyanatobutyl)thiazole
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