5-(2-fluoro-2-pyrrolidin-2-ylpropyl)-1,3-thiazole

C10H15FN2S — CID 131036651

IUPAC5-(2-fluoro-2-pyrrolidin-2-ylpropyl)-1,3-thiazole
SMILESCC(F)(Cc1cncs1)C1CCCN1
InChIInChI=1S/C10H15FN2S/c1-10(11,9-3-2-4-13-9)5-8-6-12-7-14-8/h6-7,9,13H,2-5H2,1H3
InChIKeyUPXLNRMHDTWILV-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.17
Rot. Bonds3

About 5-(2-fluoro-2-pyrrolidin-2-ylpropyl)-1,3-thiazole

5-(2-fluoro-2-pyrrolidin-2-ylpropyl)-1,3-thiazole (PubChem CID 131036651) has the molecular formula C10H15FN2S and a molecular weight of 214.31 g/mol. Its IUPAC name is 5-(2-fluoro-2-pyrrolidin-2-ylpropyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(2-fluoro-2-pyrrolidin-2-ylpropyl)-1,3-thiazole
PubChem CID131036651
Molecular FormulaC10H15FN2S
Molecular Weight214.31 g/mol
Exact Mass214.09
IUPAC Name5-(2-fluoro-2-pyrrolidin-2-ylpropyl)-1,3-thiazole
SMILESCC(F)(Cc1cncs1)C1CCCN1
InChIInChI=1S/C10H15FN2S/c1-10(11,9-3-2-4-13-9)5-8-6-12-7-14-8/h6-7,9,13H,2-5H2,1H3
InChIKeyUPXLNRMHDTWILV-UHFFFAOYSA-N
XLogP2.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-2-pyrrolidin-2-ylpropyl)-1,3-thiazole?
The IUPAC name of 5-(2-fluoro-2-pyrrolidin-2-ylpropyl)-1,3-thiazole (CID 131036651) is 5-(2-fluoro-2-pyrrolidin-2-ylpropyl)-1,3-thiazole.
What is the SMILES notation for 5-(2-fluoro-2-pyrrolidin-2-ylpropyl)-1,3-thiazole?
The canonical SMILES for 5-(2-fluoro-2-pyrrolidin-2-ylpropyl)-1,3-thiazole is CC(F)(Cc1cncs1)C1CCCN1.
What is the InChIKey of 5-(2-fluoro-2-pyrrolidin-2-ylpropyl)-1,3-thiazole?
The InChIKey is UPXLNRMHDTWILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2S/c1-10(11,9-3-2-4-13-9)5-8-6-12-7-14-8/h6-7,9,13H,2-5H2,1H3.
What are the key properties of 5-(2-fluoro-2-pyrrolidin-2-ylpropyl)-1,3-thiazole?
5-(2-fluoro-2-pyrrolidin-2-ylpropyl)-1,3-thiazole has a molecular weight of 214.31 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-2-pyrrolidin-2-ylpropyl)-1,3-thiazole is sourced from PubChem (CID 131036651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).