Chemical ID: 4092914

Cc1ccc(cc1)c2csc([nH+]2)NN=Cc3ccc(cc3)F
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

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