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

C10H15FN2S — CID 127016444

IUPAC2-(2-fluoro-2-pyrrolidin-3-ylpropyl)-1,3-thiazole
SMILESCC(F)(Cc1nccs1)C1CCNC1
InChIInChI=1S/C10H15FN2S/c1-10(11,8-2-3-12-7-8)6-9-13-4-5-14-9/h4-5,8,12H,2-3,6-7H2,1H3
InChIKeyFRNKPZIJXAYOJE-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.02
Rot. Bonds3

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

2-(2-fluoro-2-pyrrolidin-3-ylpropyl)-1,3-thiazole (PubChem CID 127016444) has the molecular formula C10H15FN2S and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(2-fluoro-2-pyrrolidin-3-ylpropyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-fluoro-2-pyrrolidin-3-ylpropyl)-1,3-thiazole
PubChem CID127016444
Molecular FormulaC10H15FN2S
Molecular Weight214.31 g/mol
Exact Mass214.09
IUPAC Name2-(2-fluoro-2-pyrrolidin-3-ylpropyl)-1,3-thiazole
SMILESCC(F)(Cc1nccs1)C1CCNC1
InChIInChI=1S/C10H15FN2S/c1-10(11,8-2-3-12-7-8)6-9-13-4-5-14-9/h4-5,8,12H,2-3,6-7H2,1H3
InChIKeyFRNKPZIJXAYOJE-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-2-pyrrolidin-3-ylpropyl)-1,3-thiazole?
The IUPAC name of 2-(2-fluoro-2-pyrrolidin-3-ylpropyl)-1,3-thiazole (CID 127016444) is 2-(2-fluoro-2-pyrrolidin-3-ylpropyl)-1,3-thiazole.
What is the SMILES notation for 2-(2-fluoro-2-pyrrolidin-3-ylpropyl)-1,3-thiazole?
The canonical SMILES for 2-(2-fluoro-2-pyrrolidin-3-ylpropyl)-1,3-thiazole is CC(F)(Cc1nccs1)C1CCNC1.
What is the InChIKey of 2-(2-fluoro-2-pyrrolidin-3-ylpropyl)-1,3-thiazole?
The InChIKey is FRNKPZIJXAYOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2S/c1-10(11,8-2-3-12-7-8)6-9-13-4-5-14-9/h4-5,8,12H,2-3,6-7H2,1H3.
What are the key properties of 2-(2-fluoro-2-pyrrolidin-3-ylpropyl)-1,3-thiazole?
2-(2-fluoro-2-pyrrolidin-3-ylpropyl)-1,3-thiazole has a molecular weight of 214.31 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-2-pyrrolidin-3-ylpropyl)-1,3-thiazole is sourced from PubChem (CID 127016444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).