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

C8H12N2OS — CID 141154331

IUPAC2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole
SMILESCO[C@@H]1CCN(c2nccs2)C1
InChIInChI=1S/C8H12N2OS/c1-11-7-2-4-10(6-7)8-9-3-5-12-8/h3,5,7H,2,4,6H2,1H3/t7-/m1/s1
InChIKeyAQJWZKZKQZDHEM-SSDOTTSWSA-N
MW184.26 g/mol
LogP1.37
Rot. Bonds2

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

2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole (PubChem CID 141154331) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole
PubChem CID141154331
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole
SMILESCO[C@@H]1CCN(c2nccs2)C1
InChIInChI=1S/C8H12N2OS/c1-11-7-2-4-10(6-7)8-9-3-5-12-8/h3,5,7H,2,4,6H2,1H3/t7-/m1/s1
InChIKeyAQJWZKZKQZDHEM-SSDOTTSWSA-N
XLogP1.37
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.37
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]-1,3-thiazole?
The IUPAC name of 2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole (CID 141154331) is 2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole is CO[C@@H]1CCN(c2nccs2)C1.
What is the InChIKey of 2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole?
The InChIKey is AQJWZKZKQZDHEM-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-11-7-2-4-10(6-7)8-9-3-5-12-8/h3,5,7H,2,4,6H2,1H3/t7-/m1/s1.
What are the key properties of 2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole?
2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole has a molecular weight of 184.26 g/mol, XLogP of 1.37, 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]-1,3-thiazole is sourced from PubChem (CID 141154331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).