Chemical ID: 6511498

Cc1c(sc(n1)C)c2cc3ccccc3[nH]2
Chemical ID:
6511498
Name [?]:
2-(2,4-dimethylthiazol-5-yl)-1H-indole
SMILES [?]:
Cc1c(sc(n1)C)c2cc3ccccc3[nH]2
InChi [?]:
InChI=1/C13H12N2S/c1-8-13(16-9(2)14-8)12-7-10-5-3-4-6-11(10)15-12/h3-7,15H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,12,13,11,14,9,2,5,10,15,8,3,6,16,4/rA:16nCCCSCNCCCCCCCCCN/rB:s1;d2;s3;s4;s2d5;s5;s3;d8;s9;s10;d11;s12;d13;d10s14;s8s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12N2S
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.62556
Area:401.642
Solvation:-1.41548
Coulombic:-17.0713
Bond Count [?]
All:18
Single:12
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:228.314
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.7
LogP (Chemaxon):2.45

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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