Chemical ID: 4982348

CCC(C)(C)c1ccc(c(c1)c2csc(n2)N)OCC
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.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue