1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone

C₁₃H₁₄N₂O₃S₂ — CID 106672042

About 1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone

1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone (PubChem CID 106672042) has the molecular formula C₁₃H₁₄N₂O₃S₂ and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

• Compound Name: 1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone
• PubChem CID: 106672042
• Molecular Formula: C₁₃H₁₄N₂O₃S₂
• Molecular Weight: 310.40 g/mol
• Exact Mass: 310.04
• IUPAC Name: 1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone
• SMILES: O=C(Cc1csc(-c2cccs2)n1)N1CC(O)C(O)C1
• InChI: InChI=1S/C13H14N2O3S2/c16-9-5-15(6-10(9)17)12(18)4-8-7-20-13(14-8)11-2-1-3-19-11/h1-3,7,9-10,16-17H,4-6H2
• InChIKey: GOJFIXGXGIIRLS-UHFFFAOYSA-N
• XLogP: 0.98
• TPSA: 73.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	310.40
LogP ≤ 5	0.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone?

The IUPAC name of 1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone (CID 106672042) is 1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone.

What is the SMILES notation for 1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone?

The canonical SMILES for 1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone is O=C(Cc1csc(-c2cccs2)n1)N1CC(O)C(O)C1.

What is the InChIKey of 1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone?

The InChIKey is GOJFIXGXGIIRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S2/c16-9-5-15(6-10(9)17)12(18)4-8-7-20-13(14-8)11-2-1-3-19-11/h1-3,7,9-10,16-17H,4-6H2.

What are the key properties of 1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone?

1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone has a molecular weight of 310.40 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 106672042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 106672042 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.