2-[[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole

C19H16FN3OS — CID 162643137

IUPAC2-[[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole
SMILESFc1ccc(C(Cn2ccnc2)OCc2nc3ccccc3s2)cc1
InChIInChI=1S/C19H16FN3OS/c20-15-7-5-14(6-8-15)17(11-23-10-9-21-13-23)24-12-19-22-16-3-1-2-4-18(16)25-19/h1-10,13,17H,11-12H2
InChIKeyOLSQVCOYAGWUNV-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.59
Rot. Bonds6

About 2-[[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole

2-[[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole (PubChem CID 162643137) has the molecular formula C19H16FN3OS and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-[[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole
PubChem CID162643137
Molecular FormulaC19H16FN3OS
Molecular Weight353.42 g/mol
Exact Mass353.10
IUPAC Name2-[[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole
SMILESFc1ccc(C(Cn2ccnc2)OCc2nc3ccccc3s2)cc1
InChIInChI=1S/C19H16FN3OS/c20-15-7-5-14(6-8-15)17(11-23-10-9-21-13-23)24-12-19-22-16-3-1-2-4-18(16)25-19/h1-10,13,17H,11-12H2
InChIKeyOLSQVCOYAGWUNV-UHFFFAOYSA-N
XLogP4.59
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole?
The IUPAC name of 2-[[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole (CID 162643137) is 2-[[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole?
The canonical SMILES for 2-[[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole is Fc1ccc(C(Cn2ccnc2)OCc2nc3ccccc3s2)cc1.
What is the InChIKey of 2-[[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole?
The InChIKey is OLSQVCOYAGWUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3OS/c20-15-7-5-14(6-8-15)17(11-23-10-9-21-13-23)24-12-19-22-16-3-1-2-4-18(16)25-19/h1-10,13,17H,11-12H2.
What are the key properties of 2-[[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole?
2-[[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole has a molecular weight of 353.42 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole is sourced from PubChem (CID 162643137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).