Chemical ID: 5841711

CCOc1cc(ccc1OC)C=NNC2=NC(=O)CS2
Chemical ID:
5841711
Name [?]:
2-[(3-ethoxy-4-methoxy-phenyl)methyleneaminoamino]thiazol-4-one
SMILES [?]:
CCOc1cc(ccc1OC)C=NNC2=NC(=O)CS2
InChi [?]:
InChI=1/C13H15N3O3S/c1-3-19-11-6-9(4-5-10(11)18-2)7-14-16-13-15-12(17)8-20-13/h4-7H,3,8H2,1-2H3,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,11,2,7,8,5,12,19,6,9,4,17,15,13,16,14,18,10,3,20/rA:20nCCOCCCCCCOCCNNCNCOCS/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s6;w12;s13;s14;d15;s16;d17;s17;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H15N3O3S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:5.98105
Area:497.873
Solvation:-6.46578
Coulombic:-37.7446
Bond Count [?]
All:21
Single:15
Double:6
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:293.343
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.31
LogP (Chemaxon):2.2

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