Chemical ID: 4865767

Cc1ccc(c(c1)C)NC2=NC(=O)C(=Cc3cccnc3)S2
Chemical ID:
4865767
Name [?]:
2-(2,4-dimethylphenyl)amino-5-(3-pyridylmethylene)thiazol-4-one
SMILES [?]:
Cc1ccc(c(c1)C)NC2=NC(=O)C(=Cc3cccnc3)S2
InChi [?]:
InChI=1/C17H15N3OS/c1-11-5-6-14(12(2)8-11)19-17-20-16(21)15(22-17)9-13-4-3-7-18-10-13/h3-10H,1-2H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,8,18,17,3,4,19,7,15,21,2,6,16,5,14,12,10,20,9,11,13,22/rA:22nCCCCCCCCNCNCOCCCCCCNCS/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15N3OS
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.0159
Area:501.854
Solvation:-2.53048
Coulombic:-33.6215
Bond Count [?]
All:24
Single:15
Double:9
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:309.387
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.76
LogP (Chemaxon):3.83

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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