ChemDB: Chemical Search
Download
Chemical ID: 3988184
Chemical ID:
3988184
Name [?]:
2-(1-aminoethyl)-N-benzhydryl-thiazole-4-carboxamide
SMILES [?]:
CC(c1nc(cs1)C(=O)NC(c2ccccc2)c3ccccc3)N
InChi [?]:
InChI=1/C19H19N3OS/c1-13(20)19-21-16(12-24-19)18(23)22-17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13,17H,20H2,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,15,21,14,16,20,22,13,17,19,23,6,2,12,18,5,11,8,3,24,4,10,9,7/E:(2,3)(4,5,6,7)(8,9,10,11)(14,15)/rA:24cCCCNCCSCONCCCCCCCCCCCCCN/rB:s1;s2;d3;s4;d5;s3s6;s5;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s11;s18;d19;s20;d21;d18s22;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19N3OS |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.7442 |
Area: | 558.749 |
Solvation: | -2.22451 |
Coulombic: | -44.5206 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 337.44 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 2.89 |
LogP (Chemaxon): | 3.23 |
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 |
---|