Chemical ID: 6527527

c1cnccc1c2nn(c(=S)o2)CN3CCNCC3
Chemical ID:
6527527
Name [?]:
3-(piperazin-1-ylmethyl)-5-(4-pyridyl)-1,3,4-oxadiazole-2-thione
SMILES [?]:
c1cnccc1c2nn(c(=S)o2)CN3CCNCC3
InChi [?]:
InChI=1/C12H15N5OS/c19-12-17(9-16-7-5-14-6-8-16)15-11(18-12)10-1-3-13-4-2-10/h1-4,14H,5-9H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,16,18,15,19,13,6,7,10,3,17,8,14,9,12,11/E:(1,2)(3,4)(5,6)(7,8)/rA:19nCCNCCCCNNCSOCNCCNCC/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;d10;s7s10;s9;s13;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15N5OS
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.77336
Area:457.707
Solvation:-2.66931
Coulombic:-34.3889
Bond Count [?]
All:21
Single:16
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:277.347
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.71
LogP (Chemaxon):1.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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