Chemical ID: 4696571

Cc1ccc(c(c1)C)Nc2nc3ccccc3s2
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.

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