Chemical ID: 5699134

Cc1ccc(cc1)N=C2N=C(C(=Cc3cccs3)S2)O
Chemical ID:
5699134
Name [?]:
2-(p-tolylimino)-5-(2-thienylmethylene)thiazol-4-ol
SMILES [?]:
Cc1ccc(cc1)N=C2N=C(C(=Cc3cccs3)S2)O
InChi [?]:
InChI=1/C15H12N2OS2/c1-10-4-6-11(7-5-10)16-15-17-14(18)13(20-15)9-12-3-2-8-19-12/h2-9H,1H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,16,15,3,7,4,6,17,13,2,5,14,12,11,9,8,10,20,18,19/E:(4,5)(6,7)/rA:20nCCCCCCCNCNCCCCCCCSSO/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s11;w12;s13;d14;s15;d16;s14s17;s9s12;s11;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12N2OS2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.1597
Area:480.687
Solvation:-1.85748
Coulombic:-31.5848
Bond Count [?]
All:22
Single:14
Double:8
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:300.401
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.86
LogP (Chemaxon):4.92

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Descriptor Annotations

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