[(2S,4R)-4-hydroxy-1,3-thiazolidin-2-yl]-pyrrolidin-1-ylmethanone

C8H14N2O2S — CID 118235030

IUPAC[(2S,4R)-4-hydroxy-1,3-thiazolidin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@H]1N[C@H](O)CS1)N1CCCC1
InChIInChI=1S/C8H14N2O2S/c11-6-5-13-7(9-6)8(12)10-3-1-2-4-10/h6-7,9,11H,1-5H2/t6-,7+/m1/s1
InChIKeyXKSHYLIZCHZULQ-RQJHMYQMSA-N
MW202.28 g/mol
LogP-0.41
Rot. Bonds1

About [(2S,4R)-4-hydroxy-1,3-thiazolidin-2-yl]-pyrrolidin-1-ylmethanone

[(2S,4R)-4-hydroxy-1,3-thiazolidin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 118235030) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is [(2S,4R)-4-hydroxy-1,3-thiazolidin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(2S,4R)-4-hydroxy-1,3-thiazolidin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID118235030
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name[(2S,4R)-4-hydroxy-1,3-thiazolidin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@H]1N[C@H](O)CS1)N1CCCC1
InChIInChI=1S/C8H14N2O2S/c11-6-5-13-7(9-6)8(12)10-3-1-2-4-10/h6-7,9,11H,1-5H2/t6-,7+/m1/s1
InChIKeyXKSHYLIZCHZULQ-RQJHMYQMSA-N
XLogP-0.41
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-hydroxy-1,3-thiazolidin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(2S,4R)-4-hydroxy-1,3-thiazolidin-2-yl]-pyrrolidin-1-ylmethanone (CID 118235030) is [(2S,4R)-4-hydroxy-1,3-thiazolidin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(2S,4R)-4-hydroxy-1,3-thiazolidin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(2S,4R)-4-hydroxy-1,3-thiazolidin-2-yl]-pyrrolidin-1-ylmethanone is O=C([C@H]1N[C@H](O)CS1)N1CCCC1.
What is the InChIKey of [(2S,4R)-4-hydroxy-1,3-thiazolidin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is XKSHYLIZCHZULQ-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H14N2O2S/c11-6-5-13-7(9-6)8(12)10-3-1-2-4-10/h6-7,9,11H,1-5H2/t6-,7+/m1/s1.
What are the key properties of [(2S,4R)-4-hydroxy-1,3-thiazolidin-2-yl]-pyrrolidin-1-ylmethanone?
[(2S,4R)-4-hydroxy-1,3-thiazolidin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 202.28 g/mol, XLogP of -0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-hydroxy-1,3-thiazolidin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 118235030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).