Chemical ID: 5187160

c1cc(cc(c1)NC2=NCCS2)C(F)(F)F
Chemical ID:
5187160
Name [?]:
N-[3-(trifluoromethyl)phenyl]-4,5-dihydrothiazol-2-amine
SMILES [?]:
c1cc(cc(c1)NC2=NCCS2)C(F)(F)F
InChi [?]:
InChI=1/C10H9F3N2S/c11-10(12,13)7-2-1-3-8(6-7)15-9-14-4-5-16-9/h1-3,6H,4-5H2,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,10,11,4,3,5,8,13,14,15,16,9,7,12/E:(11,12,13)/rA:16nCCCCCCNCNCCSCFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;s10;s8s11;s3;s13;s13;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H9F3N2S
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.39246
Area:381.345
Solvation:-2.14117
Coulombic:-36.7626
Bond Count [?]
All:17
Single:13
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:246.253
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.91
LogP (Chemaxon):3.53

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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