Chemical ID: 4982002

C1CCC(CC1)CCCc2nnc(s2)N
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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