ChemDB: Chemical Search
Download
Chemical ID: 5770107
Chemical ID:
5770107
Name [?]:
N-[4-(2-anilinothiazol-4-yl)phenyl]propanamide
SMILES [?]:
CCC(=O)Nc1ccc(cc1)c2csc(n2)Nc3ccccc3
InChi [?]:
InChI=1/C18H17N3OS/c1-2-17(22)19-15-10-8-13(9-11-15)16-12-23-18(21-16)20-14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H,19,22)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,21,20,22,19,23,8,10,7,11,13,9,18,6,12,3,15,5,17,16,4,14/E:(4,5)(6,7)(8,9)(10,11)/rA:23nCCCONCCCCCCCCSCNNCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s9;d12;s13;s14;s12d15;s15;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17N3OS |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5752 |
Area: | 536.786 |
Solvation: | -2.84446 |
Coulombic: | -38.7945 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 323.413 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.58 |
LogP (Chemaxon): | 4.6 |
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 |
---|