Chemical ID: 4839241

C=CCN1C(=O)C(=Cc2ccco2)SC1=Nc3nccs3
Chemical ID:
4839241
Name [?]:
3-allyl-5-(2-furylmethylene)-2-thiazol-2-ylimino-thiazolidin-4-one
SMILES [?]:
C=CCN1C(=O)C(=Cc2ccco2)SC1=Nc3nccs3
InChi [?]:
InChI=1/C14H11N3O2S2/c1-2-6-17-12(18)11(9-10-4-3-7-19-10)21-14(17)16-13-15-5-8-20-13/h2-5,7-9H,1,6H2
InChi Info:
AuxInfo=1/0/N:1,2,11,10,19,3,12,20,8,9,7,5,17,15,18,16,4,6,13,21,14/rA:21nCCCNCOCCCCCCOSCNCNCCS/rB:d1;s2;s3;s4;d5;s5;w7;s8;d9;s10;d11;s9s12;s7;s4s14;w15;s16;d17;s18;d19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11N3O2S2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.1385
Area:471.048
Solvation:-3.6377
Coulombic:-36.1344
Bond Count [?]
All:23
Single:15
Double:8
Rotors:4
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:317.388
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.12
LogP (Chemaxon):3.55

Name Annotations

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Descriptor Annotations

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