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Chemical ID: 4121659
Chemical ID:
4121659
Name [?]:
5-ethyl-4-(4-methoxyphenyl)-thiazol-2-amine
SMILES [?]:
CCc1c(nc(s1)N)c2ccc(cc2)OC
InChi [?]:
InChI=1/C12H14N2OS/c1-3-10-11(14-12(13)16-10)8-4-6-9(15-2)7-5-8/h4-7H,3H2,1-2H3,(H2,13,14)
InChi Info:
AuxInfo=1/1/N:1,16,2,10,14,11,13,9,12,3,4,6,8,5,15,7/E:(4,5)(6,7)/rA:16nCCCCNCSNCCCCCCOC/rB:s1;s2;d3;s4;d5;s3s6;s6;s4;s9;d10;s11;d12;d9s13;s12;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14N2OS |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.94222 |
Area: | 413.391 |
Solvation: | -2.39255 |
Coulombic: | -30.9521 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 234.318 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 2.06 |
LogP (Chemaxon): | 2.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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