2-(4-fluoro-2,6-dimethyloxan-4-yl)-1,3-thiazole

C10H14FNOS — CID 151704843

IUPAC2-(4-fluoro-2,6-dimethyloxan-4-yl)-1,3-thiazole
SMILESCC1CC(F)(c2nccs2)CC(C)O1
InChIInChI=1S/C10H14FNOS/c1-7-5-10(11,6-8(2)13-7)9-12-3-4-14-9/h3-4,7-8H,5-6H2,1-2H3
InChIKeyRFJCDMUMOYSDAA-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.90
Rot. Bonds1

About 2-(4-fluoro-2,6-dimethyloxan-4-yl)-1,3-thiazole

2-(4-fluoro-2,6-dimethyloxan-4-yl)-1,3-thiazole (PubChem CID 151704843) has the molecular formula C10H14FNOS and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-(4-fluoro-2,6-dimethyloxan-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-fluoro-2,6-dimethyloxan-4-yl)-1,3-thiazole
PubChem CID151704843
Molecular FormulaC10H14FNOS
Molecular Weight215.29 g/mol
Exact Mass215.08
IUPAC Name2-(4-fluoro-2,6-dimethyloxan-4-yl)-1,3-thiazole
SMILESCC1CC(F)(c2nccs2)CC(C)O1
InChIInChI=1S/C10H14FNOS/c1-7-5-10(11,6-8(2)13-7)9-12-3-4-14-9/h3-4,7-8H,5-6H2,1-2H3
InChIKeyRFJCDMUMOYSDAA-UHFFFAOYSA-N
XLogP2.90
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2,6-dimethyloxan-4-yl)-1,3-thiazole?
The IUPAC name of 2-(4-fluoro-2,6-dimethyloxan-4-yl)-1,3-thiazole (CID 151704843) is 2-(4-fluoro-2,6-dimethyloxan-4-yl)-1,3-thiazole.
What is the SMILES notation for 2-(4-fluoro-2,6-dimethyloxan-4-yl)-1,3-thiazole?
The canonical SMILES for 2-(4-fluoro-2,6-dimethyloxan-4-yl)-1,3-thiazole is CC1CC(F)(c2nccs2)CC(C)O1.
What is the InChIKey of 2-(4-fluoro-2,6-dimethyloxan-4-yl)-1,3-thiazole?
The InChIKey is RFJCDMUMOYSDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNOS/c1-7-5-10(11,6-8(2)13-7)9-12-3-4-14-9/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 2-(4-fluoro-2,6-dimethyloxan-4-yl)-1,3-thiazole?
2-(4-fluoro-2,6-dimethyloxan-4-yl)-1,3-thiazole has a molecular weight of 215.29 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2,6-dimethyloxan-4-yl)-1,3-thiazole is sourced from PubChem (CID 151704843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).