1-(3-fluorophenyl)-1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)ethanol

C21H16FNOS — CID 46943586

IUPAC1-(3-fluorophenyl)-1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)ethanol
SMILESCC(O)(c1cccc(F)c1)c1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C21H16FNOS/c1-21(24,17-7-4-8-18(22)12-17)20-23-19(13-25-20)16-10-9-14-5-2-3-6-15(14)11-16/h2-13,24H,1H3
InChIKeyUIBVJRJHLOGFJD-UHFFFAOYSA-N
MW349.43 g/mol
LogP5.36
Rot. Bonds3

About 1-(3-fluorophenyl)-1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)ethanol

1-(3-fluorophenyl)-1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)ethanol (PubChem CID 46943586) has the molecular formula C21H16FNOS and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)ethanol
PubChem CID46943586
Molecular FormulaC21H16FNOS
Molecular Weight349.43 g/mol
Exact Mass349.09
IUPAC Name1-(3-fluorophenyl)-1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)ethanol
SMILESCC(O)(c1cccc(F)c1)c1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C21H16FNOS/c1-21(24,17-7-4-8-18(22)12-17)20-23-19(13-25-20)16-10-9-14-5-2-3-6-15(14)11-16/h2-13,24H,1H3
InChIKeyUIBVJRJHLOGFJD-UHFFFAOYSA-N
XLogP5.36
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.43
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)ethanol?
The IUPAC name of 1-(3-fluorophenyl)-1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)ethanol (CID 46943586) is 1-(3-fluorophenyl)-1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 1-(3-fluorophenyl)-1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 1-(3-fluorophenyl)-1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)ethanol is CC(O)(c1cccc(F)c1)c1nc(-c2ccc3ccccc3c2)cs1.
What is the InChIKey of 1-(3-fluorophenyl)-1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)ethanol?
The InChIKey is UIBVJRJHLOGFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNOS/c1-21(24,17-7-4-8-18(22)12-17)20-23-19(13-25-20)16-10-9-14-5-2-3-6-15(14)11-16/h2-13,24H,1H3.
What are the key properties of 1-(3-fluorophenyl)-1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)ethanol?
1-(3-fluorophenyl)-1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)ethanol has a molecular weight of 349.43 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 46943586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).