Chemical ID: 3991939

Cc1cccc(c1Nc2nc3ccccc3s2)C
Chemical ID:
3991939
Name [?]:
N-(2,6-dimethylphenyl)benzothiazol-2-amine
SMILES [?]:
Cc1cccc(c1Nc2nc3ccccc3s2)C
InChi [?]:
InChI=1/C15H14N2S/c1-10-6-5-7-11(2)14(10)17-15-16-12-8-3-4-9-13(12)18-15/h3-9H,1-2H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,18,13,14,4,3,5,12,15,2,6,11,16,7,9,10,8,17/E:(1,2)(6,7)(10,11)/rA:18nCCCCCCCNCNCCCCCCSC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;s11;d12;s13;d14;d11s15;s9s16;s6;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14N2S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.60648
Area:433.688
Solvation:-1.23572
Coulombic:-19.9421
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:3.6
LogP (Chemaxon):5.27

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