Chemical ID: 6122688

CNC(=O)c1c(=NC(=S)NCC=C)sn(n1)c2ccc(cc2)F
Chemical ID:
6122688
Name [?]:
5-(allylthiocarbamoylimino)-2-(4-fluorophenyl)-N-methyl-thiadiazole-4-carboxamide
SMILES [?]:
CNC(=O)c1c(=NC(=S)NCC=C)sn(n1)c2ccc(cc2)F
InChi [?]:
InChI=1/C14H14FN5OS2/c1-3-8-17-14(22)18-13-11(12(21)16-2)19-20(23-13)10-6-4-9(15)5-7-10/h3-7H,1,8H2,2H3,(H,16,21)(H,17,22)
InChi Info:
AuxInfo=1/1/N:13,1,12,19,21,18,22,11,20,17,5,3,6,8,23,2,10,7,16,15,4,9,14/E:(4,5)(6,7)/rA:23nCNCOCCNCSNCCCSNNCCCCCCF/rB:s1;s2;d3;s3;s5;w6;s7;d8;s8;s10;s11;d12;s6;s14;d5s15;s15;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H14FN5OS2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.2854
Area:524.906
Solvation:-2.83726
Coulombic:-51.0308
Bond Count [?]
All:24
Single:16
Double:8
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:351.424
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.79
LogP (Chemaxon):2.31

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Descriptor Annotations

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