ChemDB: Chemical Search
Download
Chemical ID: 3991941
Chemical ID:
3991941
Name [?]:
N-(3,5-dimethylphenyl)benzothiazol-2-amine
SMILES [?]:
Cc1cc(cc(c1)Nc2nc3ccccc3s2)C
InChi [?]:
InChI=1/C15H14N2S/c1-10-7-11(2)9-12(8-10)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:1,18,13,14,12,15,3,7,5,2,4,6,11,16,9,8,10,17/E:(1,2)(8,9)(10,11)/rA:18nCCCCCCCNCNCCCCCCSC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s11;d12;s13;d14;d11s15;s9s16;s4;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14N2S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.76333 |
Area: | 439.169 |
Solvation: | -1.21588 |
Coulombic: | -19.907 |
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: | 4.02 |
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 |
---|