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Chemical ID: 4531314
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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Experimental Annotations
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Descriptor Annotations
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