ChemDB: Chemical Search
Download
Chemical ID: 4982348
Chemical ID:
4982348
Name [?]:
4-[5-(1,1-dimethylpropyl)-2-ethoxy-phenyl]thiazol-2-amine
SMILES [?]:
CCC(C)(C)c1ccc(c(c1)c2csc(n2)N)OCC
InChi [?]:
InChI=1/C16H22N2OS/c1-5-16(3,4)11-7-8-14(19-6-2)12(9-11)13-10-20-15(17)18-13/h7-10H,5-6H2,1-4H3,(H2,17,18)
InChi Info:
AuxInfo=1/1/N:1,20,4,5,2,19,7,8,11,13,6,10,12,9,15,3,17,16,18,14/E:(3,4)/rA:20nCCCCCCCCCCCCCSCNNOCC/rB:s1;s2;s3;s3;s3;s6;d7;s8;d9;d6s10;s10;d12;s13;s14;s12d15;s15;s9;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H22N2OS |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.38146 |
Area: | 494.336 |
Solvation: | -2.97694 |
Coulombic: | -30.7491 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 290.425 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 4.76 |
LogP (Chemaxon): | 4.72 |
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 |
---|