ChemDB: Chemical Search
Download
Chemical ID: 5940703
Chemical ID:
5940703
Name [?]:
2-[(acetyl-propyl-amino)methyl]-N-propyl-thiazole-4-carboxamide
SMILES [?]:
CCCNC(=O)c1csc(n1)CN(CCC)C(=O)C
InChi [?]:
InChI=1/C13H21N3O2S/c1-4-6-14-13(18)11-9-19-12(15-11)8-16(7-5-2)10(3)17/h9H,4-8H2,1-3H3,(H,14,18)
InChi Info:
AuxInfo=1/1/N:1,16,19,2,15,3,14,12,8,17,7,10,5,4,11,13,18,6,9/rA:19nCCCNCOCCSCNCNCCCCOC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s9;s7d10;s10;s12;s13;s14;s15;s13;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H21N3O2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.99499 |
Area: | 510.907 |
Solvation: | -2.77769 |
Coulombic: | -43.8786 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 283.391 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.06 |
LogP (Chemaxon): | 0.77 |
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 |
---|