ChemDB: Chemical Search
Download
Chemical ID: 5403797
Chemical ID:
5403797
Name [?]:
N-(6-methylbenzothiazol-2-yl)-2-(4-methylthiazol-2-yl)sulfanyl-acetamide
SMILES [?]:
Cc1ccc2c(c1)sc(n2)NC(=O)CSc3nc(cs3)C
InChi [?]:
InChI=1/C14H13N3OS3/c1-8-3-4-10-11(5-8)21-13(16-10)17-12(18)7-20-14-15-9(2)6-19-14/h3-6H,7H2,1-2H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,21,3,4,7,19,14,2,18,5,6,12,9,16,17,10,11,13,20,15,8/rA:21nCCCCCCCSCNNCOCSCNCCSC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5d9;s9;s11;d12;s12;s14;s15;d16;s17;d18;s16s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13N3OS3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.74807 |
Area: | 532.383 |
Solvation: | -3.56151 |
Coulombic: | -31.0775 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 335.471 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.34 |
LogP (Chemaxon): | 4.39 |
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 |
---|