Chemical ID: 5021585

c1ccc(cc1)CNc2nc3ccccc3s2
Chemical ID:
5021585
Name [?]:
N-benzylbenzothiazol-2-amine
SMILES [?]:
c1ccc(cc1)CNc2nc3ccccc3s2
InChi [?]:
InChI=1/C14H12N2S/c1-2-6-11(7-3-1)10-15-14-16-12-8-4-5-9-13(12)17-14/h1-9H,10H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,6,13,14,3,5,12,15,7,4,11,16,9,8,10,17/E:(2,3)(6,7)/rA:17nCCCCCCCNCNCCCCCCS/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;s11;d12;s13;d14;d11s15;s9s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12N2S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:9.55057
Area:431.234
Solvation:-1.23028
Coulombic:-21.473
Bond Count [?]
All:19
Single:12
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:240.325
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.29
LogP (Chemaxon):4.43

Name Annotations

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Descriptor Annotations

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