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Chemical ID: 6119308
Chemical ID:
6119308
Name [?]:
4-(4-ethoxyphenyl)-N-[(4-fluorophenyl)methyleneamino]thiazol-2-amine
SMILES [?]:
CCOc1ccc(cc1)c2csc(n2)NN=Cc3ccc(cc3)F
InChi [?]:
InChI=1/C18H16FN3OS/c1-2-23-16-9-5-14(6-10-16)17-12-24-18(21-17)22-20-11-13-3-7-15(19)8-4-13/h3-12H,2H2,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,19,23,6,8,20,22,5,9,17,11,18,7,21,4,10,13,24,16,14,15,3,12/E:(3,4)(5,6)(7,8)(9,10)/rA:24nCCOCCCCCCCCSCNNNCCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s10d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16FN3OS |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.74602 |
Area: | 556.343 |
Solvation: | -4.16256 |
Coulombic: | -28.6553 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 341.404 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.68 |
LogP (Chemaxon): | 5.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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