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Chemical ID: 6833434
Chemical ID:
6833434
Name [?]:
4-(4-ethoxyphenyl)-5-methyl-3H-thiazol-2-amine
SMILES [?]:
CCOc1ccc(cc1)c2c(sc([nH+]2)N)C
InChi [?]:
InChI=1/C12H14N2OS/c1-3-15-10-6-4-9(5-7-10)11-8(2)16-12(13)14-11/h4-7H,3H2,1-2H3,(H2,13,14)/p+1
InChi Info:
AuxInfo=1/1/N:1,16,2,6,8,5,9,11,7,4,10,13,15,14,3,12/E:(4,5)(6,7)/rA:16nCCOCCCCCCCCSCN+NC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s10d13;s13;s11;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H15N2OS+ |
All Atoms: | 31 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -22.279 |
Area: | 421.345 |
Solvation: | -32.8127 |
Coulombic: | -17.702 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 235.326 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 2.39 |
LogP (Chemaxon): | 2.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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