Chemical ID: 7515323

CN1CCN(CC1)C(=O)CSc2nnc(s2)N
Chemical ID:
7515323
Name [?]:
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-methylpiperazin-1-yl)-ethanone
SMILES [?]:
CN1CCN(CC1)C(=O)CSc2nnc(s2)N
InChi [?]:
InChI=1/C9H15N5OS2/c1-13-2-4-14(5-3-13)7(15)6-16-9-12-11-8(10)17-9/h2-6H2,1H3,(H2,10,11)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,10,8,15,12,17,14,13,2,5,9,11,16/E:(2,3)(4,5)/rA:17nCNCCNCCCOCSCNNCSN/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;s11;d12;s13;d14;s12s15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H15N5OS2
All Atoms:32
Heavy Atoms:17
Chiral Atoms:None
ZAP Information [?]
Total:8.6455
Area:457.471
Solvation:-2.79128
Coulombic:-41.9077
Bond Count [?]
All:18
Single:15
Double:3
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:-0.08
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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