Chemical ID: 7442147

Cc1c(snn1)C(=O)NC23CC4CC(C2)CC(C4)C3
Chemical ID:
7442147
Name [?]:
N-(1-adamantyl)-4-methyl-thiadiazole-5-carboxamide
SMILES [?]:
Cc1c(snn1)C(=O)NC23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C14H19N3OS/c1-8-12(19-17-16-8)13(18)15-14-5-9-2-10(6-14)4-11(3-9)7-14/h9-11H,2-7H2,1H3,(H,15,18)
InChi Info:
AuxInfo=1/1/N:1,13,16,18,15,11,19,2,14,12,17,3,7,10,9,6,5,8,4/E:(2,3,4)(5,6,7)(9,10,11)/rA:19nCCCSNNCONCCCCCCCCCC/rB:s1;d2;s3;s4;s2d5;s3;d7;s7;s9;s10;s11;s12;s13;s10s14;s14;s16;s12s17;s10s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19N3OS
All Atoms:38
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.14009
Area:426.571
Solvation:-1.52419
Coulombic:-23.7163
Bond Count [?]
All:22
Single:19
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:277.386
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.9
LogP (Chemaxon):0.58

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Descriptor Annotations

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