Chemical ID: 6218167

CCCC(=O)Nc1nc(cs1)c2ccc(cc2)Cl
Chemical ID:
6218167
Name [?]:
N-[4-(4-chlorophenyl)thiazol-2-yl]butanamide
SMILES [?]:
CCCC(=O)Nc1nc(cs1)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C13H13ClN2OS/c1-2-3-12(17)16-13-15-11(8-18-13)9-4-6-10(14)7-5-9/h4-8H,2-3H2,1H3,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,3,13,17,14,16,10,12,15,9,4,7,18,8,6,5,11/E:(4,5)(6,7)/rA:18nCCCCONCNCCSCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;s7s10;s9;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H13ClN2OS
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.68779
Area:480.031
Solvation:-2.313
Coulombic:-27.3165
Bond Count [?]
All:19
Single:13
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:280.774
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.56
LogP (Chemaxon):4.26

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