Chemical ID: 6437112

Cc1cc(cc(c1)NC(=O)CC2C(=NC(=NN=C(C)C)S2)O)C
Chemical ID:
6437112
Name [?]:
N-(3,5-dimethylphenyl)-2-(4-hydroxy-2-isopropylideneaminoimino-5H-thiazol-5-yl)-acetamide
SMILES [?]:
Cc1cc(cc(c1)NC(=O)CC2C(=NC(=NN=C(C)C)S2)O)C
InChi [?]:
InChI=1/C16H20N4O2S/c1-9(2)19-20-16-18-15(22)13(23-16)8-14(21)17-12-6-10(3)5-11(4)7-12/h5-7,13H,8H2,1-4H3,(H,17,21)(H,18,20,22)
InChi Info:
AuxInfo=1/1/N:19,20,1,23,3,7,5,11,18,2,4,6,12,9,13,15,8,14,17,16,10,22,21/E:(1,2)(3,4)(6,7)(10,11)/rA:23cCCCCCCCNCOCCCNCNNCCCSOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;d13;s14;w15;s16;d17;s18;s18;s12s15;s13;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20N4O2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:10.9047
Area:566.774
Solvation:-3.26463
Coulombic:-45.651
Bond Count [?]
All:24
Single:17
Double:7
Rotors:5
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:332.422
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.72
LogP (Chemaxon):2.91

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Descriptor Annotations

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