5-[[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole

C9H13FN2S — CID 129487841

IUPAC5-[[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESFC[C@H]1CCCN1Cc1cncs1
InChIInChI=1S/C9H13FN2S/c10-4-8-2-1-3-12(8)6-9-5-11-7-13-9/h5,7-8H,1-4,6H2/t8-/m1/s1
InChIKeyVHUQXIIWCULNGE-MRVPVSSYSA-N
MW200.28 g/mol
LogP2.08
Rot. Bonds3

About 5-[[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole

5-[[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole (PubChem CID 129487841) has the molecular formula C9H13FN2S and a molecular weight of 200.28 g/mol. Its IUPAC name is 5-[[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
PubChem CID129487841
Molecular FormulaC9H13FN2S
Molecular Weight200.28 g/mol
Exact Mass200.08
IUPAC Name5-[[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESFC[C@H]1CCCN1Cc1cncs1
InChIInChI=1S/C9H13FN2S/c10-4-8-2-1-3-12(8)6-9-5-11-7-13-9/h5,7-8H,1-4,6H2/t8-/m1/s1
InChIKeyVHUQXIIWCULNGE-MRVPVSSYSA-N
XLogP2.08
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 5-[[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole (CID 129487841) is 5-[[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 5-[[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 5-[[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole is FC[C@H]1CCCN1Cc1cncs1.
What is the InChIKey of 5-[[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is VHUQXIIWCULNGE-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H13FN2S/c10-4-8-2-1-3-12(8)6-9-5-11-7-13-9/h5,7-8H,1-4,6H2/t8-/m1/s1.
What are the key properties of 5-[[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
5-[[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 200.28 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 129487841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).