Chemical ID: 7345768

c1ccnc(c1)c2nc(cs2)c3ccc(s3)Br
Chemical ID:
7345768
Name [?]:
2-[4-(5-bromo-2-thienyl)thiazol-2-yl]pyridine
SMILES [?]:
c1ccnc(c1)c2nc(cs2)c3ccc(s3)Br
InChi [?]:
InChI=1/C12H7BrN2S2/c13-11-5-4-10(17-11)9-7-16-12(15-9)8-3-1-2-6-14-8/h1-7H
InChi Info:
AuxInfo=1/0/N:1,2,6,13,14,3,10,5,9,12,15,7,17,4,8,11,16/rA:17nCCCNCCCNCCSCCCCSBr/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s9;d12;s13;d14;s12s15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H7BrN2S2
All Atoms:24
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:9.70513
Area:453.882
Solvation:-1.6419
Coulombic:-13.0746
Bond Count [?]
All:19
Single:12
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:323.233
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.68
LogP (Chemaxon):3.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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