3-[fluoro(pyrrolidin-2-yl)methyl]-1,2-thiazole

C8H11FN2S — CID 130604900

IUPAC3-[fluoro(pyrrolidin-2-yl)methyl]-1,2-thiazole
SMILESFC(c1ccsn1)C1CCCN1
InChIInChI=1S/C8H11FN2S/c9-8(6-2-1-4-10-6)7-3-5-12-11-7/h3,5-6,8,10H,1-2,4H2
InChIKeyOPMYBASQGGNZEF-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.91
Rot. Bonds2

About 3-[fluoro(pyrrolidin-2-yl)methyl]-1,2-thiazole

3-[fluoro(pyrrolidin-2-yl)methyl]-1,2-thiazole (PubChem CID 130604900) has the molecular formula C8H11FN2S and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-[fluoro(pyrrolidin-2-yl)methyl]-1,2-thiazole.

Molecular Properties

Compound Name3-[fluoro(pyrrolidin-2-yl)methyl]-1,2-thiazole
PubChem CID130604900
Molecular FormulaC8H11FN2S
Molecular Weight186.25 g/mol
Exact Mass186.06
IUPAC Name3-[fluoro(pyrrolidin-2-yl)methyl]-1,2-thiazole
SMILESFC(c1ccsn1)C1CCCN1
InChIInChI=1S/C8H11FN2S/c9-8(6-2-1-4-10-6)7-3-5-12-11-7/h3,5-6,8,10H,1-2,4H2
InChIKeyOPMYBASQGGNZEF-UHFFFAOYSA-N
XLogP1.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[fluoro(pyrrolidin-2-yl)methyl]-1,2-thiazole?
The IUPAC name of 3-[fluoro(pyrrolidin-2-yl)methyl]-1,2-thiazole (CID 130604900) is 3-[fluoro(pyrrolidin-2-yl)methyl]-1,2-thiazole.
What is the SMILES notation for 3-[fluoro(pyrrolidin-2-yl)methyl]-1,2-thiazole?
The canonical SMILES for 3-[fluoro(pyrrolidin-2-yl)methyl]-1,2-thiazole is FC(c1ccsn1)C1CCCN1.
What is the InChIKey of 3-[fluoro(pyrrolidin-2-yl)methyl]-1,2-thiazole?
The InChIKey is OPMYBASQGGNZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2S/c9-8(6-2-1-4-10-6)7-3-5-12-11-7/h3,5-6,8,10H,1-2,4H2.
What are the key properties of 3-[fluoro(pyrrolidin-2-yl)methyl]-1,2-thiazole?
3-[fluoro(pyrrolidin-2-yl)methyl]-1,2-thiazole has a molecular weight of 186.25 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[fluoro(pyrrolidin-2-yl)methyl]-1,2-thiazole is sourced from PubChem (CID 130604900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).