N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide

C13H20N2O4S — CID 86852245

IUPACN-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide
SMILESCc1cc(C(C)NC(=O)CN2CCCS2(=O)=O)c(C)o1
InChIInChI=1S/C13H20N2O4S/c1-9-7-12(11(3)19-9)10(2)14-13(16)8-15-5-4-6-20(15,17)18/h7,10H,4-6,8H2,1-3H3,(H,14,16)
InChIKeyCARAOLOUMXWJSA-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.11
Rot. Bonds4

About N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide (PubChem CID 86852245) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide
PubChem CID86852245
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide
SMILESCc1cc(C(C)NC(=O)CN2CCCS2(=O)=O)c(C)o1
InChIInChI=1S/C13H20N2O4S/c1-9-7-12(11(3)19-9)10(2)14-13(16)8-15-5-4-6-20(15,17)18/h7,10H,4-6,8H2,1-3H3,(H,14,16)
InChIKeyCARAOLOUMXWJSA-UHFFFAOYSA-N
XLogP1.11
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide with MolForge

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Related Compounds

2-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]acetamide
CID 63680874
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-[2-(ethylamino)-2-oxoethyl]piperazine-1-carboxamide
CID 60597838
2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-3-methylbutanoic acid
CID 119348327
N-butan-2-yl-2-(1,1-dioxothiazinan-2-yl)acetamide
CID 110687638
N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-7,7-dimethyl-1,1-dioxo-1,4-thiazepane-4-carboxamide
CID 99839284
1-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63147875
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3,5-dimethylpiperidine-1-carboxamide
CID 60597945
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-sulfanylpropanamide
CID 107027131
2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-1-(3-methylpiperidin-1-yl)ethanone
CID 86789730
N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 94798329
tert-butyl N-[1-(2,5-dimethylfuran-3-yl)ethyl]carbamate
CID 63789405
2-amino-N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclopropane-1-carboxamide
CID 114995788

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide?
The IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide (CID 86852245) is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide.
What is the SMILES notation for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide?
The canonical SMILES for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide is Cc1cc(C(C)NC(=O)CN2CCCS2(=O)=O)c(C)o1.
What is the InChIKey of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide?
The InChIKey is CARAOLOUMXWJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-9-7-12(11(3)19-9)10(2)14-13(16)8-15-5-4-6-20(15,17)18/h7,10H,4-6,8H2,1-3H3,(H,14,16).
What are the key properties of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide?
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide has a molecular weight of 300.38 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide is sourced from PubChem (CID 86852245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).