Chemical ID: 6835841

CCC(=O)Nc1nc(c(s1)C)c2cccc(c2)Cl
Chemical ID:
6835841
Name [?]:
N-[4-(3-chlorophenyl)-5-methyl-thiazol-2-yl]propanamide
SMILES [?]:
CCC(=O)Nc1nc(c(s1)C)c2cccc(c2)Cl
InChi [?]:
InChI=1/C13H13ClN2OS/c1-3-11(17)15-13-16-12(8(2)18-13)9-5-4-6-10(14)7-9/h4-7H,3H2,1-2H3,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,11,2,14,13,15,17,9,12,16,3,8,6,18,5,7,4,10/rA:18nCCCONCNCCSCCCCCCCCl/rB:s1;s2;d3;s3;s5;d6;s7;d8;s6s9;s9;s8;s12;d13;s14;d15;d12s16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H13ClN2OS
All Atoms:31
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.49218
Area:467.575
Solvation:-2.1972
Coulombic:-27.1392
Bond Count [?]
All:19
Single:13
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:280.774
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.84
LogP (Chemaxon):3.86

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Descriptor Annotations

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