Chemical ID: 5846337

Cc1nnc(s1)c2cc3ccccc3n2C
Chemical ID:
5846337
Name [?]:
1-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-indole
SMILES [?]:
Cc1nnc(s1)c2cc3ccccc3n2C
InChi [?]:
InChI=1/C12H11N3S/c1-8-13-14-12(16-8)11-7-9-5-3-4-6-10(9)15(11)2/h3-7H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,11,12,10,13,8,2,9,14,7,5,3,4,15,6/rA:16nCCNNCSCCCCCCCCNC/rB:s1;d2;s3;d4;s2s5;s5;d7;s8;s9;d10;s11;d12;d9s13;s7s14;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11N3S
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.39574
Area:398.1
Solvation:-1.55677
Coulombic:-11.2831
Bond Count [?]
All:18
Single:12
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:229.302
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.54
LogP (Chemaxon):2.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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