2-[1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]propyl]-1,3-thiazole

C23H20FNOS — CID 22406602

IUPAC2-[1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]propyl]-1,3-thiazole
SMILESCCC(c1cc(F)cc(OCc2ccc3ccccc3c2)c1)c1nccs1
InChIInChI=1S/C23H20FNOS/c1-2-22(23-25-9-10-27-23)19-12-20(24)14-21(13-19)26-15-16-7-8-17-5-3-4-6-18(17)11-16/h3-14,22H,2,15H2,1H3
InChIKeyOWSWLGVUDRCECA-UHFFFAOYSA-N
MW377.48 g/mol
LogP6.56
Rot. Bonds6

About 2-[1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]propyl]-1,3-thiazole

2-[1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]propyl]-1,3-thiazole (PubChem CID 22406602) has the molecular formula C23H20FNOS and a molecular weight of 377.48 g/mol. Its IUPAC name is 2-[1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]propyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]propyl]-1,3-thiazole
PubChem CID22406602
Molecular FormulaC23H20FNOS
Molecular Weight377.48 g/mol
Exact Mass377.12
IUPAC Name2-[1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]propyl]-1,3-thiazole
SMILESCCC(c1cc(F)cc(OCc2ccc3ccccc3c2)c1)c1nccs1
InChIInChI=1S/C23H20FNOS/c1-2-22(23-25-9-10-27-23)19-12-20(24)14-21(13-19)26-15-16-7-8-17-5-3-4-6-18(17)11-16/h3-14,22H,2,15H2,1H3
InChIKeyOWSWLGVUDRCECA-UHFFFAOYSA-N
XLogP6.56
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.48
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]propyl]-1,3-thiazole?
The IUPAC name of 2-[1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]propyl]-1,3-thiazole (CID 22406602) is 2-[1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]propyl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]propyl]-1,3-thiazole?
The canonical SMILES for 2-[1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]propyl]-1,3-thiazole is CCC(c1cc(F)cc(OCc2ccc3ccccc3c2)c1)c1nccs1.
What is the InChIKey of 2-[1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]propyl]-1,3-thiazole?
The InChIKey is OWSWLGVUDRCECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNOS/c1-2-22(23-25-9-10-27-23)19-12-20(24)14-21(13-19)26-15-16-7-8-17-5-3-4-6-18(17)11-16/h3-14,22H,2,15H2,1H3.
What are the key properties of 2-[1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]propyl]-1,3-thiazole?
2-[1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]propyl]-1,3-thiazole has a molecular weight of 377.48 g/mol, XLogP of 6.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]propyl]-1,3-thiazole is sourced from PubChem (CID 22406602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).