ChemDB: Chemical Search
Download
Chemical ID: 6354435
Chemical ID:
6354435
Name [?]:
N-(4,5-dimethylthiazol-2-yl)-2-methyl-propanamide
SMILES [?]:
Cc1c(sc(n1)NC(=O)C(C)C)C
InChi [?]:
InChI=1/C9H14N2OS/c1-5(2)8(12)11-9-10-6(3)7(4)13-9/h5H,1-4H3,(H,10,11,12)
InChi Info:
AuxInfo=1/1/N:11,12,1,13,10,2,3,8,5,6,7,9,4/E:(1,2)/rA:13nCCCSCNNCOCCCC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s10;s3;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H14N2OS |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.97571 |
Area: | 374.902 |
Solvation: | -2.39684 |
Coulombic: | -24.6123 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 198.286 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 0.79 |
LogP (Chemaxon): | 1.99 |
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 |
---|