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Chemical ID: 6220058
Chemical ID:
6220058
Name [?]:
N-[4-(4-ethoxyphenyl)thiazol-2-yl]butanamide
SMILES [?]:
CCCC(=O)Nc1nc(cs1)c2ccc(cc2)OCC
InChi [?]:
InChI=1/C15H18N2O2S/c1-3-5-14(18)17-15-16-13(10-20-15)11-6-8-12(9-7-11)19-4-2/h6-10H,3-5H2,1-2H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,20,2,19,3,13,17,14,16,10,12,15,9,4,7,8,6,5,18,11/E:(6,7)(8,9)/rA:20nCCCCONCNCCSCCCCCCOCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;s7s10;s9;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: | 9.13712 |
Area: | 507.173 |
Solvation: | -3.5422 |
Coulombic: | -33.6839 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 290.382 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.27 |
LogP (Chemaxon): | 3.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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