Chemical ID: 4152626

CCCC(=O)Nc1nc(c(s1)C)c2ccc(cc2)C
Chemical ID:
4152626
Name [?]:
N-[5-methyl-4-(p-tolyl)thiazol-2-yl]butanamide
SMILES [?]:
CCCC(=O)Nc1nc(c(s1)C)c2ccc(cc2)C
InChi [?]:
InChI=1/C15H18N2OS/c1-4-5-13(18)16-15-17-14(11(3)19-15)12-8-6-10(2)7-9-12/h6-9H,4-5H2,1-3H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,19,12,2,3,15,17,14,18,16,10,13,4,9,7,6,8,5,11/E:(6,7)(8,9)/rA:19nCCCCONCNCCSCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;s7s10;s10;s9;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H18N2OS
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.82873
Area:481.14
Solvation:-2.19977
Coulombic:-27.2416
Bond Count [?]
All:20
Single:14
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:274.382
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.22
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