2-[(3R)-3-ethoxypyrrolidin-1-yl]-4,5-dihydro-1,3-thiazole

C9H16N2OS — CID 142277547

IUPAC2-[(3R)-3-ethoxypyrrolidin-1-yl]-4,5-dihydro-1,3-thiazole
SMILESCCO[C@@H]1CCN(C2=NCCS2)C1
InChIInChI=1S/C9H16N2OS/c1-2-12-8-3-5-11(7-8)9-10-4-6-13-9/h8H,2-7H2,1H3/t8-/m1/s1
InChIKeyIIHLUWMUWCEAGT-MRVPVSSYSA-N
MW200.31 g/mol
LogP1.20
Rot. Bonds2

About 2-[(3R)-3-ethoxypyrrolidin-1-yl]-4,5-dihydro-1,3-thiazole

2-[(3R)-3-ethoxypyrrolidin-1-yl]-4,5-dihydro-1,3-thiazole (PubChem CID 142277547) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 2-[(3R)-3-ethoxypyrrolidin-1-yl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-[(3R)-3-ethoxypyrrolidin-1-yl]-4,5-dihydro-1,3-thiazole
PubChem CID142277547
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name2-[(3R)-3-ethoxypyrrolidin-1-yl]-4,5-dihydro-1,3-thiazole
SMILESCCO[C@@H]1CCN(C2=NCCS2)C1
InChIInChI=1S/C9H16N2OS/c1-2-12-8-3-5-11(7-8)9-10-4-6-13-9/h8H,2-7H2,1H3/t8-/m1/s1
InChIKeyIIHLUWMUWCEAGT-MRVPVSSYSA-N
XLogP1.20
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-ethoxypyrrolidin-1-yl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-[(3R)-3-ethoxypyrrolidin-1-yl]-4,5-dihydro-1,3-thiazole (CID 142277547) is 2-[(3R)-3-ethoxypyrrolidin-1-yl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-[(3R)-3-ethoxypyrrolidin-1-yl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-[(3R)-3-ethoxypyrrolidin-1-yl]-4,5-dihydro-1,3-thiazole is CCO[C@@H]1CCN(C2=NCCS2)C1.
What is the InChIKey of 2-[(3R)-3-ethoxypyrrolidin-1-yl]-4,5-dihydro-1,3-thiazole?
The InChIKey is IIHLUWMUWCEAGT-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-2-12-8-3-5-11(7-8)9-10-4-6-13-9/h8H,2-7H2,1H3/t8-/m1/s1.
What are the key properties of 2-[(3R)-3-ethoxypyrrolidin-1-yl]-4,5-dihydro-1,3-thiazole?
2-[(3R)-3-ethoxypyrrolidin-1-yl]-4,5-dihydro-1,3-thiazole has a molecular weight of 200.31 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-ethoxypyrrolidin-1-yl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 142277547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).