Chemical ID: 4228618

COc1ccc(cc1)c2csc(n2)c3ccccc3
Chemical ID:
4228618
Name [?]:
4-(4-methoxyphenyl)-2-phenyl-thiazole
SMILES [?]:
COc1ccc(cc1)c2csc(n2)c3ccccc3
InChi [?]:
InChI=1/C16H13NOS/c1-18-14-9-7-12(8-10-14)15-11-19-16(17-15)13-5-3-2-4-6-13/h2-11H,1H3
InChi Info:
AuxInfo=1/0/N:1,17,16,18,15,19,5,7,4,8,10,6,14,3,9,12,13,2,11/E:(3,4)(5,6)(7,8)(9,10)/rA:19nCOCCCCCCCCSCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9d12;s12;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13NOS
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.07354
Area:464.894
Solvation:-2.54881
Coulombic:-16.0188
Bond Count [?]
All:21
Single:13
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:267.347
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.31
LogP (Chemaxon):4.52

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