Chemical ID: 4193001

Cc1ccccc1CC2C(=O)NC(=Nc3ccccn3)S2
Chemical ID:
4193001
Name [?]:
5-(o-tolylmethyl)-2-(2-pyridylimino)thiazolidin-4-one
SMILES [?]:
Cc1ccccc1CC2C(=O)NC(=Nc3ccccn3)S2
InChi [?]:
InChI=1/C16H15N3OS/c1-11-6-2-3-7-12(11)10-13-15(20)19-16(21-13)18-14-8-4-5-9-17-14/h2-9,13H,10H2,1H3,(H,17,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,4,5,17,18,3,6,16,19,8,2,7,9,15,10,13,20,14,12,11,21/rA:21cCCCCCCCCCCONCNCCCCCNS/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15N3OS
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:9.94961
Area:486.372
Solvation:-2.20969
Coulombic:-34.0178
Bond Count [?]
All:23
Single:15
Double:8
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:297.376
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.6
LogP (Chemaxon):4.25

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Descriptor Annotations

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