Chemical ID: 4656454

c1cc(ccc1Cc2cnc(s2)N3C(=O)CSC3=N)F
Chemical ID:
4656454
Name [?]:
3-[5-[(4-fluorophenyl)methyl]thiazol-2-yl]-2-imino-thiazolidin-4-one
SMILES [?]:
c1cc(ccc1Cc2cnc(s2)N3C(=O)CSC3=N)F
InChi [?]:
InChI=1/C13H10FN3OS2/c14-9-3-1-8(2-4-9)5-10-6-16-13(20-10)17-11(18)7-19-12(17)15/h1-4,6,15H,5,7H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,7,9,16,6,3,8,14,18,11,20,19,10,13,15,17,12/E:(1,2)(3,4)/rA:20nCCCCCCCCCNCSNCOCSCNF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;s13s17;w18;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H10FN3OS2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.66333
Area:466.499
Solvation:-3.99914
Coulombic:-36.6634
Bond Count [?]
All:22
Single:15
Double:7
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:307.369
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.52
LogP (Chemaxon):2.83

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Descriptor Annotations

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