Chemical ID: 4598138

CCCCC(=O)Nc1ncc(s1)Cc2ccc(cc2)C
Chemical ID:
4598138
Name [?]:
N-[5-(p-tolylmethyl)thiazol-2-yl]pentanamide
SMILES [?]:
CCCCC(=O)Nc1ncc(s1)Cc2ccc(cc2)C
InChi [?]:
InChI=1/C16H20N2OS/c1-3-4-5-15(19)18-16-17-11-14(20-16)10-13-8-6-12(2)7-9-13/h6-9,11H,3-5,10H2,1-2H3,(H,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,20,2,3,4,16,18,15,19,13,10,17,14,11,5,8,9,7,6,12/E:(6,7)(8,9)/rA:20nCCCCCONCNCCSCCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;s8s11;s11;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20N2OS
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.98729
Area:519.817
Solvation:-3.00813
Coulombic:-26.2215
Bond Count [?]
All:21
Single:15
Double:6
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:288.409
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.06
LogP (Chemaxon):4.2

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue