2-(5-methylfuran-2-yl)-3-(4-pyrrolidin-1-ylbutyl)-1,3-thiazolidin-4-one

C16H24N2O2S — CID 3790416

IUPAC2-(5-methylfuran-2-yl)-3-(4-pyrrolidin-1-ylbutyl)-1,3-thiazolidin-4-one
SMILESCc1ccc(C2SCC(=O)N2CCCCN2CCCC2)o1
InChIInChI=1S/C16H24N2O2S/c1-13-6-7-14(20-13)16-18(15(19)12-21-16)11-5-4-10-17-8-2-3-9-17/h6-7,16H,2-5,8-12H2,1H3
InChIKeyKWQIMRIDNQZRAS-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.04
Rot. Bonds6

About 2-(5-methylfuran-2-yl)-3-(4-pyrrolidin-1-ylbutyl)-1,3-thiazolidin-4-one

2-(5-methylfuran-2-yl)-3-(4-pyrrolidin-1-ylbutyl)-1,3-thiazolidin-4-one (PubChem CID 3790416) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-3-(4-pyrrolidin-1-ylbutyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-3-(4-pyrrolidin-1-ylbutyl)-1,3-thiazolidin-4-one
PubChem CID3790416
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name2-(5-methylfuran-2-yl)-3-(4-pyrrolidin-1-ylbutyl)-1,3-thiazolidin-4-one
SMILESCc1ccc(C2SCC(=O)N2CCCCN2CCCC2)o1
InChIInChI=1S/C16H24N2O2S/c1-13-6-7-14(20-13)16-18(15(19)12-21-16)11-5-4-10-17-8-2-3-9-17/h6-7,16H,2-5,8-12H2,1H3
InChIKeyKWQIMRIDNQZRAS-UHFFFAOYSA-N
XLogP3.04
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-methoxyethyl)-2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one
CID 21204936
N-[3-[3-[2-(5-methylfuran-2-yl)-4-oxo-1,3-thiazolidin-3-yl]propoxy]phenyl]acetamide
CID 3721425
2-(5-methylfuran-2-yl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one
CID 3857419
3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one
CID 4686422
2-(5-methylfuran-2-yl)-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazolidin-4-one
CID 5016061
2-(2,5-dimethoxyphenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one
CID 23851729
ethyl 2-[[2-[2-(5-methylfuran-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate
CID 3867158
2-phenyl-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 3995232
3-(4-pyrrolidin-1-ylbutyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
CID 21103369
2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 23988752
2-(5-methylfuran-2-yl)-3-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazolidin-4-one
CID 23769430
(2S)-2-(3,4-dichlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 1372058

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-3-(4-pyrrolidin-1-ylbutyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(5-methylfuran-2-yl)-3-(4-pyrrolidin-1-ylbutyl)-1,3-thiazolidin-4-one (CID 3790416) is 2-(5-methylfuran-2-yl)-3-(4-pyrrolidin-1-ylbutyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-3-(4-pyrrolidin-1-ylbutyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(5-methylfuran-2-yl)-3-(4-pyrrolidin-1-ylbutyl)-1,3-thiazolidin-4-one is Cc1ccc(C2SCC(=O)N2CCCCN2CCCC2)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-3-(4-pyrrolidin-1-ylbutyl)-1,3-thiazolidin-4-one?
The InChIKey is KWQIMRIDNQZRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-13-6-7-14(20-13)16-18(15(19)12-21-16)11-5-4-10-17-8-2-3-9-17/h6-7,16H,2-5,8-12H2,1H3.
What are the key properties of 2-(5-methylfuran-2-yl)-3-(4-pyrrolidin-1-ylbutyl)-1,3-thiazolidin-4-one?
2-(5-methylfuran-2-yl)-3-(4-pyrrolidin-1-ylbutyl)-1,3-thiazolidin-4-one has a molecular weight of 308.45 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-3-(4-pyrrolidin-1-ylbutyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3790416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).