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Chemical ID: 7255295
Chemical ID:
7255295
Name [?]:
4-[4-(difluoromethoxy)phenyl]-N-ethyl-5-methyl-thiazol-2-amine
SMILES [?]:
CCNc1nc(c(s1)C)c2ccc(cc2)OC(F)F
InChi [?]:
InChI=1/C13H14F2N2OS/c1-3-16-13-17-11(8(2)19-13)9-4-6-10(7-5-9)18-12(14)15/h4-7,12H,3H2,1-2H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,9,2,11,15,12,14,7,10,13,6,17,4,18,19,3,5,16,8/E:(4,5)(6,7)(14,15)/rA:19nCCNCNCCSCCCCCCCOCFF/rB:s1;s2;s3;d4;s5;d6;s4s7;s7;s6;s10;d11;s12;d13;d10s14;s13;s16;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H14F2N2OS |
All Atoms: | 33 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.38292 |
Area: | 454.825 |
Solvation: | -2.98769 |
Coulombic: | -38.6344 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 284.326 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.41 |
LogP (Chemaxon): | 3.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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