ChemDB: Chemical Search
Download
Chemical ID: 3987977
Chemical ID:
3987977
Name [?]:
2-(1-aminopentyl)-N-[(3,5-dimethoxyphenyl)methyl]thiazole-4-carboxamide
SMILES [?]:
CCCCC(c1nc(cs1)C(=O)NCc2cc(cc(c2)OC)OC)N
InChi [?]:
InChI=1/C18H25N3O3S/c1-4-5-6-15(19)18-21-16(11-25-18)17(22)20-10-12-7-13(23-2)9-14(8-12)24-3/h7-9,11,15H,4-6,10,19H2,1-3H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,22,24,2,3,4,20,16,18,14,9,15,19,17,5,8,11,6,25,13,7,12,21,23,10/E:(2,3)(7,8)(13,14)(23,24)/rA:25cCCCCCCNCCSCONCCCCCCCOCOCN/rB:s1;s2;s3;s4;s5;d6;s7;d8;s6s9;s8;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s19;s21;s17;s23;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H25N3O3S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.958 |
Area: | 619.556 |
Solvation: | -4.53094 |
Coulombic: | -55.7388 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 363.476 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 2.64 |
LogP (Chemaxon): | 2.14 |
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 |
---|