Chemical ID: 4715525

COc1ccc(cc1)c2csc(n2)N=C(N)N
Chemical ID:
4715525
Name [?]:
2-[4-(4-methoxyphenyl)thiazol-2-yl]guanidine
SMILES [?]:
COc1ccc(cc1)c2csc(n2)N=C(N)N
InChi [?]:
InChI=1/C11H12N4OS/c1-16-8-4-2-7(3-5-8)9-6-17-11(14-9)15-10(12)13/h2-6H,1H3,(H4,12,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,5,7,4,8,10,6,3,9,15,12,16,17,13,14,2,11/E:(2,3)(4,5)(12,13)/rA:17nCOCCCCCCCCSCNNCNN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9d12;s12;d14;s15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12N4OS
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.77009
Area:426.084
Solvation:-2.882
Coulombic:-52.5936
Bond Count [?]
All:18
Single:12
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:248.305
H-Bond Donors:4
H-Bond Acceptors:4
XLogP:1.36
LogP (Chemaxon):2.66

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