2-[[(2S)-2-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole

C9H14N2OS — CID 57223689

IUPAC2-[[(2S)-2-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole
SMILESC[C@@]1(COc2nccs2)CCCN1
InChIInChI=1S/C9H14N2OS/c1-9(3-2-4-11-9)7-12-8-10-5-6-13-8/h5-6,11H,2-4,7H2,1H3/t9-/m0/s1
InChIKeyFVGJHYKHFXTLHW-VIFPVBQESA-N
MW198.29 g/mol
LogP1.66
Rot. Bonds3

About 2-[[(2S)-2-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole

2-[[(2S)-2-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole (PubChem CID 57223689) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-[[(2S)-2-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole.

Molecular Properties

Compound Name2-[[(2S)-2-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole
PubChem CID57223689
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-[[(2S)-2-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole
SMILESC[C@@]1(COc2nccs2)CCCN1
InChIInChI=1S/C9H14N2OS/c1-9(3-2-4-11-9)7-12-8-10-5-6-13-8/h5-6,11H,2-4,7H2,1H3/t9-/m0/s1
InChIKeyFVGJHYKHFXTLHW-VIFPVBQESA-N
XLogP1.66
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole?
The IUPAC name of 2-[[(2S)-2-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole (CID 57223689) is 2-[[(2S)-2-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole.
What is the SMILES notation for 2-[[(2S)-2-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole?
The canonical SMILES for 2-[[(2S)-2-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole is C[C@@]1(COc2nccs2)CCCN1.
What is the InChIKey of 2-[[(2S)-2-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole?
The InChIKey is FVGJHYKHFXTLHW-VIFPVBQESA-N. The full InChI is InChI=1S/C9H14N2OS/c1-9(3-2-4-11-9)7-12-8-10-5-6-13-8/h5-6,11H,2-4,7H2,1H3/t9-/m0/s1.
What are the key properties of 2-[[(2S)-2-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole?
2-[[(2S)-2-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole has a molecular weight of 198.29 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole is sourced from PubChem (CID 57223689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).