ChemDB: Chemical Search
Download
Chemical ID: 5469757
Chemical ID:
5469757
Name [?]:
2-methyl-5-propyl-4-(p-tolyl)thiazole
SMILES [?]:
CCCc1c(nc(s1)C)c2ccc(cc2)C
InChi [?]:
InChI=1/C14H17NS/c1-4-5-13-14(15-11(3)16-13)12-8-6-10(2)7-9-12/h6-9H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,9,2,3,12,14,11,15,13,7,10,4,5,6,8/E:(6,7)(8,9)/rA:16nCCCCCNCSCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s4s7;s7;s5;s10;d11;s12;d13;d10s14;s13;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H17NS |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.71138 |
Area: | 428.201 |
Solvation: | -0.993637 |
Coulombic: | -7.77324 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 231.358 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.83 |
LogP (Chemaxon): | 4.09 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|