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

C9H13FN2S — CID 131003153

IUPAC3-(1-fluoro-1-pyrrolidin-2-ylethyl)-1,2-thiazole
SMILESCC(F)(c1ccsn1)C1CCCN1
InChIInChI=1S/C9H13FN2S/c1-9(10,7-3-2-5-11-7)8-4-6-13-12-8/h4,6-7,11H,2-3,5H2,1H3
InChIKeyKDDFOPQQALQSEG-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.08
Rot. Bonds2

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

3-(1-fluoro-1-pyrrolidin-2-ylethyl)-1,2-thiazole (PubChem CID 131003153) has the molecular formula C9H13FN2S and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-(1-fluoro-1-pyrrolidin-2-ylethyl)-1,2-thiazole.

Molecular Properties

Compound Name3-(1-fluoro-1-pyrrolidin-2-ylethyl)-1,2-thiazole
PubChem CID131003153
Molecular FormulaC9H13FN2S
Molecular Weight200.28 g/mol
Exact Mass200.08
IUPAC Name3-(1-fluoro-1-pyrrolidin-2-ylethyl)-1,2-thiazole
SMILESCC(F)(c1ccsn1)C1CCCN1
InChIInChI=1S/C9H13FN2S/c1-9(10,7-3-2-5-11-7)8-4-6-13-12-8/h4,6-7,11H,2-3,5H2,1H3
InChIKeyKDDFOPQQALQSEG-UHFFFAOYSA-N
XLogP2.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoro-1-pyrrolidin-2-ylethyl)-1,2-thiazole?
The IUPAC name of 3-(1-fluoro-1-pyrrolidin-2-ylethyl)-1,2-thiazole (CID 131003153) is 3-(1-fluoro-1-pyrrolidin-2-ylethyl)-1,2-thiazole.
What is the SMILES notation for 3-(1-fluoro-1-pyrrolidin-2-ylethyl)-1,2-thiazole?
The canonical SMILES for 3-(1-fluoro-1-pyrrolidin-2-ylethyl)-1,2-thiazole is CC(F)(c1ccsn1)C1CCCN1.
What is the InChIKey of 3-(1-fluoro-1-pyrrolidin-2-ylethyl)-1,2-thiazole?
The InChIKey is KDDFOPQQALQSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2S/c1-9(10,7-3-2-5-11-7)8-4-6-13-12-8/h4,6-7,11H,2-3,5H2,1H3.
What are the key properties of 3-(1-fluoro-1-pyrrolidin-2-ylethyl)-1,2-thiazole?
3-(1-fluoro-1-pyrrolidin-2-ylethyl)-1,2-thiazole has a molecular weight of 200.28 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoro-1-pyrrolidin-2-ylethyl)-1,2-thiazole is sourced from PubChem (CID 131003153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).