Chemical ID: 5782189

Cc1ccc(cc1)c2csc(=NN=Cc3ccccc3)[nH]2
Chemical ID:
5782189
Name [?]:
N-benzylideneamino-4-(p-tolyl)-3H-thiazol-2-imine
SMILES [?]:
Cc1ccc(cc1)c2csc(=NN=Cc3ccccc3)[nH]2
InChi [?]:
InChI=1/C17H15N3S/c1-13-7-9-15(10-8-13)16-12-21-17(19-16)20-18-11-14-5-3-2-4-6-14/h2-12H,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,16,20,3,7,4,6,14,9,2,15,5,8,11,13,21,12,10/E:(3,4)(5,6)(7,8)(9,10)/rA:21nCCCCCCCCCSCNNCCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;w11;s12;w13;s14;s15;d16;s17;d18;d15s19;s8s11;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15N3S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.7451
Area:503.456
Solvation:-1.84132
Coulombic:-19.0809
Bond Count [?]
All:23
Single:14
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:293.387
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.25
LogP (Chemaxon):4.35

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Descriptor Annotations

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