Chemical ID: 6476323

CC(=O)Nc1ccc(cc1)c2csc([nH+]2)NCC=C
Chemical ID:
6476323
Name [?]:
N-[4-(2-allylamino-3H-thiazol-4-yl)phenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)c2csc([nH+]2)NCC=C
InChi [?]:
InChI=1/C14H15N3OS/c1-3-8-15-14-17-13(9-19-14)11-4-6-12(7-5-11)16-10(2)18/h3-7,9H,1,8H2,2H3,(H,15,17)(H,16,18)/p+1
InChi Info:
AuxInfo=1/1/N:19,1,18,7,9,6,10,17,12,2,8,5,11,14,16,4,15,3,13/E:(4,5)(6,7)/rA:19nCCONCCCCCCCCSCN+NCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s12;s13;s11d14;s14;s16;s17;d18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H16N3OS+
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:-19.5317
Area:489.98
Solvation:-31.7812
Coulombic:-27.3001
Bond Count [?]
All:20
Single:13
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:274.362
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.53
LogP (Chemaxon):3.03

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