Chemical ID: 6120498

Cc1cccc(n1)C=C2C(=O)NC(=Nc3ccccc3)S2
Chemical ID:
6120498
Name [?]:
5-[(6-methyl-2-pyridyl)methylene]-2-phenylimino-thiazolidin-4-one
SMILES [?]:
Cc1cccc(n1)C=C2C(=O)NC(=Nc3ccccc3)S2
InChi [?]:
InChI=1/C16H13N3OS/c1-11-6-5-9-13(17-11)10-14-15(20)19-16(21-14)18-12-7-3-2-4-8-12/h2-10H,1H3,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,4,3,16,20,5,8,2,15,6,9,10,13,7,14,12,11,21/E:(3,4)(7,8)/rA:21nCCCCCCNCCCONCNCCCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13N3OS
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.3612
Area:479.893
Solvation:-2.63614
Coulombic:-32.4652
Bond Count [?]
All:23
Single:14
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:295.36
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.24
LogP (Chemaxon):3.49

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