ChemDB: Chemical Search
Download
Chemical ID: 5773862
Chemical ID:
5773862
Name [?]:
5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILES [?]:
c1ccc2c(c1)c(c[nH]2)Cc3nnc(s3)N
InChi [?]:
InChI=1/C11H10N4S/c12-11-15-14-10(16-11)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6,13H,5H2,(H2,12,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,10,8,7,5,4,11,14,16,9,12,13,15/rA:16nCCCCCCCCNCCNNCSN/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s7;s10;d11;s12;d13;s11s14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H10N4S |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.14805 |
Area: | 398.85 |
Solvation: | -1.82319 |
Coulombic: | -32.3782 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 230.29 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 2.32 |
LogP (Chemaxon): | 1.72 |
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 |
---|