Chemical ID: 6220058

CCCC(=O)Nc1nc(cs1)c2ccc(cc2)OCC
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue