ChemDB: Chemical Search
Download
Chemical ID: 4696571
Chemical ID:
4696571
Name [?]:
N-(2,4-dimethylphenyl)benzothiazol-2-amine
SMILES [?]:
Cc1ccc(c(c1)C)Nc2nc3ccccc3s2
InChi [?]:
InChI=1/C15H14N2S/c1-10-7-8-12(11(2)9-10)16-15-17-13-5-3-4-6-14(13)18-15/h3-9H,1-2H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,8,14,15,13,16,3,4,7,2,6,5,12,17,10,9,11,18/rA:18nCCCCCCCCNCNCCCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s11;s12;d13;s14;d15;d12s16;s10s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14N2S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.74976 |
Area: | 437.964 |
Solvation: | -1.19934 |
Coulombic: | -20.0485 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 254.351 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.81 |
LogP (Chemaxon): | 5.27 |
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 |
---|