Chemical ID: 6218164

CCCC(=O)Nc1nc(cs1)c2ccc(cc2)CC
Chemical ID:
6218164
Name [?]:
N-[4-(4-ethylphenyl)thiazol-2-yl]butanamide
SMILES [?]:
CCCC(=O)Nc1nc(cs1)c2ccc(cc2)CC
InChi [?]:
InChI=1/C15H18N2OS/c1-3-5-14(18)17-15-16-13(10-19-15)12-8-6-11(4-2)7-9-12/h6-10H,3-5H2,1-2H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,19,2,18,3,14,16,13,17,10,15,12,9,4,7,8,6,5,11/E:(6,7)(8,9)/rA:19nCCCCONCNCCSCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;s7s10;s9;s12;d13;s14;d15;d12s16;s15;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H18N2OS
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.93931
Area:489.65
Solvation:-2.30194
Coulombic:-27.3988
Bond Count [?]
All:20
Single:14
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:274.382
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.83
LogP (Chemaxon):4.6

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Descriptor Annotations

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