ChemDB: Chemical Search
Download
Chemical ID: 6000892
Chemical ID:
6000892
Name [?]:
2-propylamino-N-thiazol-2-yl-acetamide
SMILES [?]:
CCCNCC(=O)Nc1nccs1
InChi [?]:
InChI=1/C8H13N3OS/c1-2-3-9-6-7(12)11-8-10-4-5-13-8/h4-5,9H,2-3,6H2,1H3,(H,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,3,11,12,5,6,9,4,10,8,7,13/rA:13nCCCNCCONCNCCS/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;s9s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H13N3OS |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.27179 |
Area: | 389.671 |
Solvation: | -3.46998 |
Coulombic: | -32.9702 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 199.274 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | -0.08 |
LogP (Chemaxon): | 0.62 |
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 |
---|