2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)ethanone

C9H12N2O2S — CID 71649466

IUPAC2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)ethanone
SMILESO=C(CN1CC[C@H](O)C1)c1nccs1
InChIInChI=1S/C9H12N2O2S/c12-7-1-3-11(5-7)6-8(13)9-10-2-4-14-9/h2,4,7,12H,1,3,5-6H2/t7-/m0/s1
InChIKeyKLEICWLJBXASEX-ZETCQYMHSA-N
MW212.27 g/mol
LogP0.39
Rot. Bonds3

About 2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)ethanone

2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)ethanone (PubChem CID 71649466) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)ethanone
PubChem CID71649466
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)ethanone
SMILESO=C(CN1CC[C@H](O)C1)c1nccs1
InChIInChI=1S/C9H12N2O2S/c12-7-1-3-11(5-7)6-8(13)9-10-2-4-14-9/h2,4,7,12H,1,3,5-6H2/t7-/m0/s1
InChIKeyKLEICWLJBXASEX-ZETCQYMHSA-N
XLogP0.39
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)ethanone (CID 71649466) is 2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)ethanone is O=C(CN1CC[C@H](O)C1)c1nccs1.
What is the InChIKey of 2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)ethanone?
The InChIKey is KLEICWLJBXASEX-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12N2O2S/c12-7-1-3-11(5-7)6-8(13)9-10-2-4-14-9/h2,4,7,12H,1,3,5-6H2/t7-/m0/s1.
What are the key properties of 2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)ethanone?
2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)ethanone has a molecular weight of 212.27 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 71649466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).