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Chemical ID: 5277717
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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