Chemical ID: 3991967

CCc1ccc(cc1)Nc2nc3ccccc3s2
Chemical ID:
3991967
Name [?]:
N-(4-ethylphenyl)benzothiazol-2-amine
SMILES [?]:
CCc1ccc(cc1)Nc2nc3ccccc3s2
InChi [?]:
InChI=1/C15H14N2S/c1-2-11-7-9-12(10-8-11)16-15-17-13-5-3-4-6-14(13)18-15/h3-10H,2H2,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,14,15,13,16,4,8,5,7,3,6,12,17,10,9,11,18/E:(7,8)(9,10)/rA:18nCCCCCCCCNCNCCCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;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:9.88338
Area:443.564
Solvation:-1.20571
Coulombic:-20.458
Bond Count [?]
All:20
Single:13
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:254.351
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.04
LogP (Chemaxon):5.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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