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Chemical ID: 4982002
Chemical ID:
4982002
Name [?]:
5-(3-cyclohexylpropyl)-1,3,4-thiadiazol-2-amine
SMILES [?]:
C1CCC(CC1)CCCc2nnc(s2)N
InChi [?]:
InChI=1/C11H19N3S/c12-11-14-13-10(15-11)8-4-7-9-5-2-1-3-6-9/h9H,1-8H2,(H2,12,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,8,3,5,7,9,4,10,13,15,11,12,14/E:(2,3)(5,6)/rA:15nCCCCCCCCCCNNCSN/rB:s1;s2;s3;s4;s1s5;s4;s7;s8;s9;d10;s11;d12;s10s13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H19N3S |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.62381 |
Area: | 424.973 |
Solvation: | -1.0005 |
Coulombic: | -22.788 |
Bond Count [?]
All: | 16 |
Single: | 14 |
Double: | 2 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 225.355 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 4.55 |
LogP (Chemaxon): | 2.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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