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Chemical ID: 4092914
Chemical ID:
4092914
Name [?]:
N-[(4-fluorophenyl)methyleneamino]-4-(p-tolyl)-3H-thiazol-2-amine
SMILES [?]:
Cc1ccc(cc1)c2csc([nH+]2)NN=Cc3ccc(cc3)F
InChi [?]:
InChI=1/C17H14FN3S/c1-12-2-6-14(7-3-12)16-11-22-17(20-16)21-19-10-13-4-8-15(18)9-5-13/h2-11H,1H3,(H,20,21)/p+1
InChi Info:
AuxInfo=1/1/N:1,3,7,17,21,4,6,18,20,15,9,2,16,5,19,8,11,22,14,12,13,10/E:(2,3)(4,5)(6,7)(8,9)/rA:22nCCCCCCCCCSCN+NNCCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15FN3S+ |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -21.0454 |
Area: | 512.21 |
Solvation: | -33.8506 |
Coulombic: | -8.00551 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 312.386 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.93 |
LogP (Chemaxon): | 5.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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