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Chemical ID: 5187160
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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