1-[2-(fluoromethyl)pyrrolidin-1-yl]-2-(1,3-thiazol-5-yl)ethanone

C10H13FN2OS — CID 126792731

IUPAC1-[2-(fluoromethyl)pyrrolidin-1-yl]-2-(1,3-thiazol-5-yl)ethanone
SMILESO=C(Cc1cncs1)N1CCCC1CF
InChIInChI=1S/C10H13FN2OS/c11-5-8-2-1-3-13(8)10(14)4-9-6-12-7-15-9/h6-8H,1-5H2
InChIKeyWJGQICCHENZZGR-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.65
Rot. Bonds3

About 1-[2-(fluoromethyl)pyrrolidin-1-yl]-2-(1,3-thiazol-5-yl)ethanone

1-[2-(fluoromethyl)pyrrolidin-1-yl]-2-(1,3-thiazol-5-yl)ethanone (PubChem CID 126792731) has the molecular formula C10H13FN2OS and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-[2-(fluoromethyl)pyrrolidin-1-yl]-2-(1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-[2-(fluoromethyl)pyrrolidin-1-yl]-2-(1,3-thiazol-5-yl)ethanone
PubChem CID126792731
Molecular FormulaC10H13FN2OS
Molecular Weight228.29 g/mol
Exact Mass228.07
IUPAC Name1-[2-(fluoromethyl)pyrrolidin-1-yl]-2-(1,3-thiazol-5-yl)ethanone
SMILESO=C(Cc1cncs1)N1CCCC1CF
InChIInChI=1S/C10H13FN2OS/c11-5-8-2-1-3-13(8)10(14)4-9-6-12-7-15-9/h6-8H,1-5H2
InChIKeyWJGQICCHENZZGR-UHFFFAOYSA-N
XLogP1.65
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(fluoromethyl)pyrrolidin-1-yl]-2-(1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-[2-(fluoromethyl)pyrrolidin-1-yl]-2-(1,3-thiazol-5-yl)ethanone (CID 126792731) is 1-[2-(fluoromethyl)pyrrolidin-1-yl]-2-(1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-[2-(fluoromethyl)pyrrolidin-1-yl]-2-(1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-[2-(fluoromethyl)pyrrolidin-1-yl]-2-(1,3-thiazol-5-yl)ethanone is O=C(Cc1cncs1)N1CCCC1CF.
What is the InChIKey of 1-[2-(fluoromethyl)pyrrolidin-1-yl]-2-(1,3-thiazol-5-yl)ethanone?
The InChIKey is WJGQICCHENZZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2OS/c11-5-8-2-1-3-13(8)10(14)4-9-6-12-7-15-9/h6-8H,1-5H2.
What are the key properties of 1-[2-(fluoromethyl)pyrrolidin-1-yl]-2-(1,3-thiazol-5-yl)ethanone?
1-[2-(fluoromethyl)pyrrolidin-1-yl]-2-(1,3-thiazol-5-yl)ethanone has a molecular weight of 228.29 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(fluoromethyl)pyrrolidin-1-yl]-2-(1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 126792731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).