Chemical ID: 5462000

CC(C)C(=O)Nc1ncc(s1)Cc2ccccc2
Chemical ID:
5462000
Name [?]:
N-(5-benzylthiazol-2-yl)-2-methyl-propanamide
SMILES [?]:
CC(C)C(=O)Nc1ncc(s1)Cc2ccccc2
InChi [?]:
InChI=1/C14H16N2OS/c1-10(2)13(17)16-14-15-9-12(18-14)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,3,16,15,17,14,18,12,9,2,13,10,4,7,8,6,5,11/E:(1,2)(4,5)(6,7)/rA:18nCCCCONCNCCSCCCCCCC/rB:s1;s2;s2;d4;s4;s6;d7;s8;d9;s7s10;s10;s12;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H16N2OS
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.66295
Area:462.27
Solvation:-2.89379
Coulombic:-26.4634
Bond Count [?]
All:19
Single:13
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:260.356
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.77
LogP (Chemaxon):3.5

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