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Chemical ID: 6266864
Chemical ID:
6266864
Name [?]:
N-[4-(4-ethoxyphenyl)-5-methyl-thiazol-2-yl]propanamide
SMILES [?]:
CCC(=O)Nc1nc(c(s1)C)c2ccc(cc2)OCC
InChi [?]:
InChI=1/C15H18N2O2S/c1-4-13(18)16-15-17-14(10(3)20-15)11-6-8-12(9-7-11)19-5-2/h6-9H,4-5H2,1-3H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,20,11,2,19,13,17,14,16,9,12,15,3,8,6,5,7,4,18,10/E:(6,7)(8,9)/rA:20nCCCONCNCCSCCCCCCCOCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s6s9;s9;s8;s12;d13;s14;d15;d12s16;s15;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18N2O2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.9542 |
Area: | 496.846 |
Solvation: | -3.46695 |
Coulombic: | -33.499 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 290.382 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.55 |
LogP (Chemaxon): | 3.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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