Chemical ID: 4531314

CC1CN=C(S1)Nc2ccccc2C(F)(F)F
Chemical ID:
4531314
Name [?]:
5-methyl-N-[2-(trifluoromethyl)phenyl]-4,5-dihydrothiazol-2-amine
SMILES [?]:
CC1CN=C(S1)Nc2ccccc2C(F)(F)F
InChi [?]:
InChI=1/C11H11F3N2S/c1-7-6-15-10(17-7)16-9-5-3-2-4-8(9)11(12,13)14/h2-5,7H,6H2,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,11,10,12,9,3,2,13,8,5,14,15,16,17,4,7,6/E:(12,13,14)/rA:17cCCCNCSNCCCCCCCFFF/rB:s1;s2;s3;d4;s2s5;s5;s7;s8;d9;s10;d11;d8s12;s13;s14;s14;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11F3N2S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:8.05325
Area:398.991
Solvation:-1.92153
Coulombic:-37.7287
Bond Count [?]
All:18
Single:14
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:260.28
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.21
LogP (Chemaxon):3.91

Name Annotations

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Descriptor Annotations

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