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Chemical ID: 4715525
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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