ChemDB: Chemical Search
Download
Chemical ID: 7442147
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 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|