Chemical ID: 5095137

CC(C)(C)c1ccc(c(c1)c2cscn2)OC
Chemical ID:
5095137
Name [?]:
4-(2-methoxy-5-tert-butyl-phenyl)thiazole
SMILES [?]:
CC(C)(C)c1ccc(c(c1)c2cscn2)OC
InChi [?]:
InChI=1/C14H17NOS/c1-14(2,3)10-5-6-13(16-4)11(7-10)12-8-17-9-15-12/h5-9H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,4,17,6,7,10,12,14,5,9,11,8,2,15,16,13/E:(1,2,3)/rA:17nCCCCCCCCCCCCSCNOC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s9;d11;s12;s13;s11d14;s8;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H17NOS
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.68194
Area:426.983
Solvation:-2.99264
Coulombic:-13.1038
Bond Count [?]
All:18
Single:13
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:247.357
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.6
LogP (Chemaxon):3.85

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