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

C9H14N2O2S — CID 123417430

IUPAC4-hydroxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1,3-thiazol-2-one
SMILESCN1CCC[C@H]1Cn1c(O)csc1=O
InChIInChI=1S/C9H14N2O2S/c1-10-4-2-3-7(10)5-11-8(12)6-14-9(11)13/h6-7,12H,2-5H2,1H3/t7-/m0/s1
InChIKeyZFOOVOGLENQXFI-ZETCQYMHSA-N
MW214.29 g/mol
LogP0.71
Rot. Bonds2

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

4-hydroxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1,3-thiazol-2-one (PubChem CID 123417430) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 4-hydroxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1,3-thiazol-2-one
PubChem CID123417430
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name4-hydroxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1,3-thiazol-2-one
SMILESCN1CCC[C@H]1Cn1c(O)csc1=O
InChIInChI=1S/C9H14N2O2S/c1-10-4-2-3-7(10)5-11-8(12)6-14-9(11)13/h6-7,12H,2-5H2,1H3/t7-/m0/s1
InChIKeyZFOOVOGLENQXFI-ZETCQYMHSA-N
XLogP0.71
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methyl]-4-hydroxy-1,3-thiazol-2-one
CID 123141073
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-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazol-2-one
CID 123909145

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1,3-thiazol-2-one (CID 123417430) is 4-hydroxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1,3-thiazol-2-one is CN1CCC[C@H]1Cn1c(O)csc1=O.
What is the InChIKey of 4-hydroxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1,3-thiazol-2-one?
The InChIKey is ZFOOVOGLENQXFI-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-10-4-2-3-7(10)5-11-8(12)6-14-9(11)13/h6-7,12H,2-5H2,1H3/t7-/m0/s1.
What are the key properties of 4-hydroxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1,3-thiazol-2-one?
4-hydroxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1,3-thiazol-2-one has a molecular weight of 214.29 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1,3-thiazol-2-one is sourced from PubChem (CID 123417430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).