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

C25H24FNOS — CID 15341169

IUPAC2-[3-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]pentan-3-yl]-1,3-thiazole
SMILESCCC(CC)(c1cc(F)cc(OCc2ccc3ccccc3c2)c1)c1nccs1
InChIInChI=1S/C25H24FNOS/c1-3-25(4-2,24-27-11-12-29-24)21-14-22(26)16-23(15-21)28-17-18-9-10-19-7-5-6-8-20(19)13-18/h5-16H,3-4,17H2,1-2H3
InChIKeyBNHHZFISMIELLF-UHFFFAOYSA-N
MW405.54 g/mol
LogP7.12
Rot. Bonds7

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

2-[3-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]pentan-3-yl]-1,3-thiazole (PubChem CID 15341169) has the molecular formula C25H24FNOS and a molecular weight of 405.54 g/mol. Its IUPAC name is 2-[3-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]pentan-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[3-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]pentan-3-yl]-1,3-thiazole
PubChem CID15341169
Molecular FormulaC25H24FNOS
Molecular Weight405.54 g/mol
Exact Mass405.16
IUPAC Name2-[3-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]pentan-3-yl]-1,3-thiazole
SMILESCCC(CC)(c1cc(F)cc(OCc2ccc3ccccc3c2)c1)c1nccs1
InChIInChI=1S/C25H24FNOS/c1-3-25(4-2,24-27-11-12-29-24)21-14-22(26)16-23(15-21)28-17-18-9-10-19-7-5-6-8-20(19)13-18/h5-16H,3-4,17H2,1-2H3
InChIKeyBNHHZFISMIELLF-UHFFFAOYSA-N
XLogP7.12
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.54
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]pentan-3-yl]-1,3-thiazole?
The IUPAC name of 2-[3-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]pentan-3-yl]-1,3-thiazole (CID 15341169) is 2-[3-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]pentan-3-yl]-1,3-thiazole.
What is the SMILES notation for 2-[3-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]pentan-3-yl]-1,3-thiazole?
The canonical SMILES for 2-[3-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]pentan-3-yl]-1,3-thiazole is CCC(CC)(c1cc(F)cc(OCc2ccc3ccccc3c2)c1)c1nccs1.
What is the InChIKey of 2-[3-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]pentan-3-yl]-1,3-thiazole?
The InChIKey is BNHHZFISMIELLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FNOS/c1-3-25(4-2,24-27-11-12-29-24)21-14-22(26)16-23(15-21)28-17-18-9-10-19-7-5-6-8-20(19)13-18/h5-16H,3-4,17H2,1-2H3.
What are the key properties of 2-[3-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]pentan-3-yl]-1,3-thiazole?
2-[3-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]pentan-3-yl]-1,3-thiazole has a molecular weight of 405.54 g/mol, XLogP of 7.12, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]pentan-3-yl]-1,3-thiazole is sourced from PubChem (CID 15341169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).