Chemical ID: 3991941

Cc1cc(cc(c1)Nc2nc3ccccc3s2)C
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

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Descriptor Annotations

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