Chemical ID: 4858473

c1ccc(c(c1)NC2=NC(=O)C(=Cc3cccs3)S2)Cl
Chemical ID:
4858473
Name [?]:
2-(2-chlorophenyl)amino-5-(2-thienylmethylene)thiazol-4-one
SMILES [?]:
c1ccc(c(c1)NC2=NC(=O)C(=Cc3cccs3)S2)Cl
InChi [?]:
InChI=1/C14H9ClN2OS2/c15-10-5-1-2-6-11(10)16-14-17-13(18)12(20-14)8-9-4-3-7-19-9/h1-8H,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:2,1,16,15,3,6,17,13,14,4,5,12,10,8,20,7,9,11,18,19/rA:20nCCCCCCNCNCOCCCCCCSSCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;s10;w12;s13;d14;s15;d16;s14s17;s8s12;s4;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9ClN2OS2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.2542
Area:487.901
Solvation:-1.94335
Coulombic:-30.8231
Bond Count [?]
All:22
Single:14
Double:8
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:320.819
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.0
LogP (Chemaxon):4.14

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