[3-(furan-2-yl)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone

C12H16N2O2S — CID 110667359

IUPAC[3-(furan-2-yl)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
SMILESO=C(C1CSCN1)N1CCC(c2ccco2)C1
InChIInChI=1S/C12H16N2O2S/c15-12(10-7-17-8-13-10)14-4-3-9(6-14)11-2-1-5-16-11/h1-2,5,9-10,13H,3-4,6-8H2
InChIKeyHQEBCWUVEUDDCG-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.26
Rot. Bonds2

About [3-(furan-2-yl)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone

[3-(furan-2-yl)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone (PubChem CID 110667359) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is [3-(furan-2-yl)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone.

Molecular Properties

Compound Name[3-(furan-2-yl)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
PubChem CID110667359
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name[3-(furan-2-yl)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
SMILESO=C(C1CSCN1)N1CCC(c2ccco2)C1
InChIInChI=1S/C12H16N2O2S/c15-12(10-7-17-8-13-10)14-4-3-9(6-14)11-2-1-5-16-11/h1-2,5,9-10,13H,3-4,6-8H2
InChIKeyHQEBCWUVEUDDCG-UHFFFAOYSA-N
XLogP1.26
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(furan-2-yl)pyrrolidine-1-carboxamide
CID 131041480
[3-(furan-2-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 110603786
(3S)-3-(furan-2-yl)pyrrolidine-1-carbothioamide
CID 134368012
methyl 4-[3-(furan-2-yl)pyrrolidin-1-yl]-4-oxobutanoate
CID 110667373
[3-(furan-2-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 110423788
(2-methylmorpholin-4-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone
CID 119276152
[3-(furan-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 110667356
3-[3-(furan-2-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
CID 110667360
[3-(hydroxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 43590441
[2-(hydroxymethyl)morpholin-4-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone
CID 119322366
(2-methylmorpholin-4-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride
CID 119276151
(4-aminopiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride
CID 131101939

Frequently Asked Questions

What is the IUPAC name of [3-(furan-2-yl)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The IUPAC name of [3-(furan-2-yl)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone (CID 110667359) is [3-(furan-2-yl)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone.
What is the SMILES notation for [3-(furan-2-yl)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The canonical SMILES for [3-(furan-2-yl)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone is O=C(C1CSCN1)N1CCC(c2ccco2)C1.
What is the InChIKey of [3-(furan-2-yl)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The InChIKey is HQEBCWUVEUDDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c15-12(10-7-17-8-13-10)14-4-3-9(6-14)11-2-1-5-16-11/h1-2,5,9-10,13H,3-4,6-8H2.
What are the key properties of [3-(furan-2-yl)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
[3-(furan-2-yl)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone has a molecular weight of 252.34 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(furan-2-yl)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone is sourced from PubChem (CID 110667359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).