Chemical ID: 5160931

CC(C)C(=O)Nc1ncc(s1)Cc2ccc(cc2)Cl
Chemical ID:
5160931
Name [?]:
N-[5-[(4-chlorophenyl)methyl]thiazol-2-yl]-2-methyl-propanamide
SMILES [?]:
CC(C)C(=O)Nc1ncc(s1)Cc2ccc(cc2)Cl
InChi [?]:
InChI=1/C14H15ClN2OS/c1-9(2)13(18)17-14-16-8-12(19-14)7-10-3-5-11(15)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,14,18,15,17,12,9,2,13,16,10,4,7,19,8,6,5,11/E:(1,2)(3,4)(5,6)/rA:19nCCCCONCNCCSCCCCCCCCl/rB:s1;s2;s2;d4;s4;s6;d7;s8;d9;s7s10;s10;s12;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15ClN2OS
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.52853
Area:496.048
Solvation:-2.87268
Coulombic:-26.5829
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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