2-[[1-(4-chlorophenyl)-5-(4-fluoro-2-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazole

C20H15ClFN3OS2 — CID 11441836

IUPAC2-[[1-(4-chlorophenyl)-5-(4-fluoro-2-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazole
SMILESCOc1cc(F)ccc1-c1cnc(SCc2nccs2)n1-c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClFN3OS2/c1-26-18-10-14(22)4-7-16(18)17-11-24-20(28-12-19-23-8-9-27-19)25(17)15-5-2-13(21)3-6-15/h2-11H,12H2,1H3
InChIKeyCOLRCIJVMVYUCV-UHFFFAOYSA-N
MW431.95 g/mol
LogP6.09
Rot. Bonds6

About 2-[[1-(4-chlorophenyl)-5-(4-fluoro-2-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazole

2-[[1-(4-chlorophenyl)-5-(4-fluoro-2-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazole (PubChem CID 11441836) has the molecular formula C20H15ClFN3OS2 and a molecular weight of 431.95 g/mol. Its IUPAC name is 2-[[1-(4-chlorophenyl)-5-(4-fluoro-2-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[1-(4-chlorophenyl)-5-(4-fluoro-2-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazole
PubChem CID11441836
Molecular FormulaC20H15ClFN3OS2
Molecular Weight431.95 g/mol
Exact Mass431.03
IUPAC Name2-[[1-(4-chlorophenyl)-5-(4-fluoro-2-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazole
SMILESCOc1cc(F)ccc1-c1cnc(SCc2nccs2)n1-c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClFN3OS2/c1-26-18-10-14(22)4-7-16(18)17-11-24-20(28-12-19-23-8-9-27-19)25(17)15-5-2-13(21)3-6-15/h2-11H,12H2,1H3
InChIKeyCOLRCIJVMVYUCV-UHFFFAOYSA-N
XLogP6.09
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.95
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-chlorophenyl)-5-(4-fluoro-2-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazole?
The IUPAC name of 2-[[1-(4-chlorophenyl)-5-(4-fluoro-2-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazole (CID 11441836) is 2-[[1-(4-chlorophenyl)-5-(4-fluoro-2-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazole.
What is the SMILES notation for 2-[[1-(4-chlorophenyl)-5-(4-fluoro-2-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazole?
The canonical SMILES for 2-[[1-(4-chlorophenyl)-5-(4-fluoro-2-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazole is COc1cc(F)ccc1-c1cnc(SCc2nccs2)n1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[[1-(4-chlorophenyl)-5-(4-fluoro-2-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazole?
The InChIKey is COLRCIJVMVYUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3OS2/c1-26-18-10-14(22)4-7-16(18)17-11-24-20(28-12-19-23-8-9-27-19)25(17)15-5-2-13(21)3-6-15/h2-11H,12H2,1H3.
What are the key properties of 2-[[1-(4-chlorophenyl)-5-(4-fluoro-2-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazole?
2-[[1-(4-chlorophenyl)-5-(4-fluoro-2-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazole has a molecular weight of 431.95 g/mol, XLogP of 6.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-chlorophenyl)-5-(4-fluoro-2-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazole is sourced from PubChem (CID 11441836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).