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Chemical ID: 4981908
Chemical ID:
4981908
Name [?]:
5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-amine
SMILES [?]:
C1CCC(CC1)Cc2nnc(s2)N
InChi [?]:
InChI=1/C9H15N3S/c10-9-12-11-8(13-9)6-7-4-2-1-3-5-7/h7H,1-6H2,(H2,10,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,7,4,8,11,13,9,10,12/E:(2,3)(4,5)/rA:13nCCCCCCCCNNCSN/rB:s1;s2;s3;s4;s1s5;s4;s7;d8;s9;d10;s8s11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H15N3S |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.23663 |
Area: | 367.974 |
Solvation: | -0.962716 |
Coulombic: | -22.2526 |
Bond Count [?]
All: | 14 |
Single: | 12 |
Double: | 2 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 197.302 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 3.41 |
LogP (Chemaxon): | 1.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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