3-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methyl]-4-hydroxy-1,3-thiazol-2-one

C9H13FN2O2S — CID 123141073

IUPAC3-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methyl]-4-hydroxy-1,3-thiazol-2-one
SMILESCN1C[C@H](F)C[C@H]1Cn1c(O)csc1=O
InChIInChI=1S/C9H13FN2O2S/c1-11-3-6(10)2-7(11)4-12-8(13)5-15-9(12)14/h5-7,13H,2-4H2,1H3/t6-,7+/m1/s1
InChIKeyUZBCNEXCCRGVGO-RQJHMYQMSA-N
MW232.28 g/mol
LogP0.66
Rot. Bonds2

About 3-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methyl]-4-hydroxy-1,3-thiazol-2-one

3-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methyl]-4-hydroxy-1,3-thiazol-2-one (PubChem CID 123141073) has the molecular formula C9H13FN2O2S and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methyl]-4-hydroxy-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methyl]-4-hydroxy-1,3-thiazol-2-one
PubChem CID123141073
Molecular FormulaC9H13FN2O2S
Molecular Weight232.28 g/mol
Exact Mass232.07
IUPAC Name3-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methyl]-4-hydroxy-1,3-thiazol-2-one
SMILESCN1C[C@H](F)C[C@H]1Cn1c(O)csc1=O
InChIInChI=1S/C9H13FN2O2S/c1-11-3-6(10)2-7(11)4-12-8(13)5-15-9(12)14/h5-7,13H,2-4H2,1H3/t6-,7+/m1/s1
InChIKeyUZBCNEXCCRGVGO-RQJHMYQMSA-N
XLogP0.66
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3S,4R)-4-fluoro-1-methylpyrrolidin-3-yl]-4-hydroxy-1,3-thiazol-2-one
CID 123769253
3-[(3S,4R)-1-ethyl-4-fluoropyrrolidin-3-yl]-4-hydroxy-1,3-thiazol-2-one
CID 123893907
4-Hydroxy-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one
CID 123391370
4-hydroxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1,3-thiazol-2-one
CID 123417430
4-Hydroxy-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazol-2-one
CID 123909145

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methyl]-4-hydroxy-1,3-thiazol-2-one?
The IUPAC name of 3-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methyl]-4-hydroxy-1,3-thiazol-2-one (CID 123141073) is 3-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methyl]-4-hydroxy-1,3-thiazol-2-one.
What is the SMILES notation for 3-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methyl]-4-hydroxy-1,3-thiazol-2-one?
The canonical SMILES for 3-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methyl]-4-hydroxy-1,3-thiazol-2-one is CN1C[C@H](F)C[C@H]1Cn1c(O)csc1=O.
What is the InChIKey of 3-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methyl]-4-hydroxy-1,3-thiazol-2-one?
The InChIKey is UZBCNEXCCRGVGO-RQJHMYQMSA-N. The full InChI is InChI=1S/C9H13FN2O2S/c1-11-3-6(10)2-7(11)4-12-8(13)5-15-9(12)14/h5-7,13H,2-4H2,1H3/t6-,7+/m1/s1.
What are the key properties of 3-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methyl]-4-hydroxy-1,3-thiazol-2-one?
3-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methyl]-4-hydroxy-1,3-thiazol-2-one has a molecular weight of 232.28 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methyl]-4-hydroxy-1,3-thiazol-2-one is sourced from PubChem (CID 123141073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).