ChemDB: Chemical Search
Download
Chemical ID: 3928322
Chemical ID:
3928322
Name [?]:
N-(4,5-dimethylthiazol-2-yl)-2-[(5-isopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILES [?]:
Cc1c(sc(n1)NC(=O)CSc2nnc(n2C)C(C)C)C
InChi [?]:
InChI=1/C13H19N5OS2/c1-7(2)11-16-17-13(18(11)5)20-6-10(19)15-12-14-8(3)9(4)21-12/h7H,6H2,1-5H3,(H,14,15,19)
InChi Info:
AuxInfo=1/1/N:19,20,1,21,17,10,18,2,3,8,15,5,12,6,7,14,13,16,9,11,4/E:(1,2)/rA:21nCCCSCNNCOCSCNNCNCCCCC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;d12;s13;d14;s12s15;s16;s15;s18;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19N5OS2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0355 |
Area: | 541.554 |
Solvation: | -3.50336 |
Coulombic: | -35.5929 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 325.455 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.33 |
LogP (Chemaxon): | 1.9 |
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 |
---|