Chemical ID: 5277717

c1cc(cnc1)C=C2C(=O)N=C(S2)Nc3ccc(cc3)O
Chemical ID:
5277717
Name [?]:
2-(4-hydroxyphenyl)amino-5-(3-pyridylmethylene)thiazol-4-one
SMILES [?]:
c1cc(cnc1)C=C2C(=O)N=C(S2)Nc3ccc(cc3)O
InChi [?]:
InChI=1/C15H11N3O2S/c19-12-5-3-11(4-6-12)17-15-18-14(20)13(21-15)8-10-2-1-7-16-9-10/h1-9,19H,(H,17,18,20)
InChi Info:
AuxInfo=1/1/N:1,2,16,20,17,19,6,7,4,3,15,18,8,9,12,5,14,11,21,10,13/E:(3,4)(5,6)/rA:21nCCCCNCCCCONCSNCCCCCCO/rB:s1;d2;s3;d4;d1s5;s3;w7;s8;d9;s9;d11;s8s12;s12;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11N3O2S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.52802
Area:479.899
Solvation:-3.46945
Coulombic:-48.78
Bond Count [?]
All:23
Single:14
Double:9
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:297.333
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.27
LogP (Chemaxon):2.61

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