Chemical ID: 5461878

CC(C)c1ccc(cc1)Cc2cnc(s2)NC(=O)C(C)C
Chemical ID:
5461878
Name [?]:
N-[5-[(4-isopropylphenyl)methyl]thiazol-2-yl]-2-methyl-propanamide
SMILES [?]:
CC(C)c1ccc(cc1)Cc2cnc(s2)NC(=O)C(C)C
InChi [?]:
InChI=1/C17H22N2OS/c1-11(2)14-7-5-13(6-8-14)9-15-10-18-17(21-15)19-16(20)12(3)4/h5-8,10-12H,9H2,1-4H3,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,3,20,21,6,8,5,9,10,12,2,19,7,4,11,17,14,13,16,18,15/E:(1,2)(3,4)(5,6)(7,8)/rA:21nCCCCCCCCCCCCNCSNCOCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;d13;s11s14;s14;s16;d17;s17;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22N2OS
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.3483
Area:530.242
Solvation:-2.90774
Coulombic:-26.8526
Bond Count [?]
All:22
Single:16
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:302.435
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.18
LogP (Chemaxon):4.7

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