2-[(3R)-3-methoxypyrrolidin-1-yl]-4-methyl-1,3-thiazole

C9H14N2OS — CID 143797078

IUPAC2-[(3R)-3-methoxypyrrolidin-1-yl]-4-methyl-1,3-thiazole
SMILESCO[C@@H]1CCN(c2nc(C)cs2)C1
InChIInChI=1S/C9H14N2OS/c1-7-6-13-9(10-7)11-4-3-8(5-11)12-2/h6,8H,3-5H2,1-2H3/t8-/m1/s1
InChIKeyCJKLLMZBERTXTB-MRVPVSSYSA-N
MW198.29 g/mol
LogP1.68
Rot. Bonds2

About 2-[(3R)-3-methoxypyrrolidin-1-yl]-4-methyl-1,3-thiazole

2-[(3R)-3-methoxypyrrolidin-1-yl]-4-methyl-1,3-thiazole (PubChem CID 143797078) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-[(3R)-3-methoxypyrrolidin-1-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(3R)-3-methoxypyrrolidin-1-yl]-4-methyl-1,3-thiazole
PubChem CID143797078
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-[(3R)-3-methoxypyrrolidin-1-yl]-4-methyl-1,3-thiazole
SMILESCO[C@@H]1CCN(c2nc(C)cs2)C1
InChIInChI=1S/C9H14N2OS/c1-7-6-13-9(10-7)11-4-3-8(5-11)12-2/h6,8H,3-5H2,1-2H3/t8-/m1/s1
InChIKeyCJKLLMZBERTXTB-MRVPVSSYSA-N
XLogP1.68
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-methoxypyrrolidin-1-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[(3R)-3-methoxypyrrolidin-1-yl]-4-methyl-1,3-thiazole (CID 143797078) is 2-[(3R)-3-methoxypyrrolidin-1-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[(3R)-3-methoxypyrrolidin-1-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[(3R)-3-methoxypyrrolidin-1-yl]-4-methyl-1,3-thiazole is CO[C@@H]1CCN(c2nc(C)cs2)C1.
What is the InChIKey of 2-[(3R)-3-methoxypyrrolidin-1-yl]-4-methyl-1,3-thiazole?
The InChIKey is CJKLLMZBERTXTB-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-7-6-13-9(10-7)11-4-3-8(5-11)12-2/h6,8H,3-5H2,1-2H3/t8-/m1/s1.
What are the key properties of 2-[(3R)-3-methoxypyrrolidin-1-yl]-4-methyl-1,3-thiazole?
2-[(3R)-3-methoxypyrrolidin-1-yl]-4-methyl-1,3-thiazole has a molecular weight of 198.29 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-methoxypyrrolidin-1-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 143797078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).