ChemDB: Chemical Search
Download
Chemical ID: 7259023
Chemical ID:
7259023
Name [?]:
2-imino-5-methyl-3-[5-(m-tolylmethyl)thiazol-2-yl]-thiazolidin-4-one
SMILES [?]:
Cc1cccc(c1)Cc2cnc(s2)N3C(=O)C(SC3=N)C
InChi [?]:
InChI=1/C15H15N3OS2/c1-9-4-3-5-11(6-9)7-12-8-17-15(21-12)18-13(19)10(2)20-14(18)16/h3-6,8,10,16H,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,4,3,5,7,8,10,2,17,6,9,15,19,12,20,11,14,16,18,13/rA:21cCCCCCCCCCCNCSNCOCSCNC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d11;s9s12;s12;s14;d15;s15;s17;s14s18;w19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15N3OS2 |
All Atoms: | 36 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.55231 |
Area: | 500.566 |
Solvation: | -2.96183 |
Coulombic: | -34.2545 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 317.431 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.09 |
LogP (Chemaxon): | 3.69 |
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 |
---|