Chemical ID: 4981908

C1CCC(CC1)Cc2nnc(s2)N
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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