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Chemical ID: 7515323
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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