Chemical ID: 4257198

Cc1cc(c2c(c1)nc(s2)N)C
Chemical ID:
4257198
Name [?]:
5,7-dimethylbenzothiazol-2-amine
SMILES [?]:
Cc1cc(c2c(c1)nc(s2)N)C
InChi [?]:
InChI=1/C9H10N2S/c1-5-3-6(2)8-7(4-5)11-9(10)12-8/h3-4H,1-2H3,(H2,10,11)
InChi Info:
AuxInfo=1/1/N:1,12,3,7,2,4,6,5,9,11,8,10/rA:12nCCCCCCCNCSNC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s5s9;s9;s4;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10N2S
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:7.47697
Area:334.265
Solvation:-0.879643
Coulombic:-23.6248
Bond Count [?]
All:13
Single:9
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:178.255
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:1.78
LogP (Chemaxon):3.23

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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