Chemical ID: 6218182

CC(C)C(=O)Nc1ncc(s1)Cc2ccccc2Cl
Chemical ID:
6218182
Name [?]:
N-[5-[(2-chlorophenyl)methyl]thiazol-2-yl]-2-methyl-propanamide
SMILES [?]:
CC(C)C(=O)Nc1ncc(s1)Cc2ccccc2Cl
InChi [?]:
InChI=1/C14H15ClN2OS/c1-9(2)13(18)17-14-16-8-11(19-14)7-10-5-3-4-6-12(10)15/h3-6,8-9H,7H2,1-2H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,15,16,14,17,12,9,2,13,10,18,4,7,19,8,6,5,11/E:(1,2)/rA:19nCCCCONCNCCSCCCCCCCCl/rB:s1;s2;s2;d4;s4;s6;d7;s8;d9;s7s10;s10;s12;s13;d14;s15;d16;d13s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15ClN2OS
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.09946
Area:479.816
Solvation:-2.89595
Coulombic:-26.6849
Bond Count [?]
All:20
Single:14
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:294.8
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.4
LogP (Chemaxon):4.02

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