5-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]furan-2-carboxamide

C10H9ClN2O4S — CID 103622962

IUPAC5-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]furan-2-carboxamide
SMILESO=C(NCCN1C(=O)CSC1=O)c1ccc(Cl)o1
InChIInChI=1S/C10H9ClN2O4S/c11-7-2-1-6(17-7)9(15)12-3-4-13-8(14)5-18-10(13)16/h1-2H,3-5H2,(H,12,15)
InChIKeyIMKDPQZTMLKFJX-UHFFFAOYSA-N
MW288.71 g/mol
LogP1.36
Rot. Bonds4

About 5-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]furan-2-carboxamide

5-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]furan-2-carboxamide (PubChem CID 103622962) has the molecular formula C10H9ClN2O4S and a molecular weight of 288.71 g/mol. Its IUPAC name is 5-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]furan-2-carboxamide
PubChem CID103622962
Molecular FormulaC10H9ClN2O4S
Molecular Weight288.71 g/mol
Exact Mass288.00
IUPAC Name5-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]furan-2-carboxamide
SMILESO=C(NCCN1C(=O)CSC1=O)c1ccc(Cl)o1
InChIInChI=1S/C10H9ClN2O4S/c11-7-2-1-6(17-7)9(15)12-3-4-13-8(14)5-18-10(13)16/h1-2H,3-5H2,(H,12,15)
InChIKeyIMKDPQZTMLKFJX-UHFFFAOYSA-N
XLogP1.36
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dichlorophenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 52717864
2,5-dibromo-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]benzamide
CID 114370897
N'-[(4-chlorophenyl)methyl]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide
CID 108507812
6-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pyrazine-2-carboxamide
CID 106551164
2-bromo-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 63679671
3-bromo-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-4-methylbenzamide
CID 79467461
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pyrazine-2-carboxamide
CID 108808097
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]urea
CID 108908585
3-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]propanamide
CID 43470811
N'-[(2-chlorophenyl)methyl]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide
CID 108506190
3-bromo-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]prop-2-ynamide
CID 130774842
3-(cyanomethyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]benzamide
CID 82179048

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]furan-2-carboxamide (CID 103622962) is 5-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]furan-2-carboxamide is O=C(NCCN1C(=O)CSC1=O)c1ccc(Cl)o1.
What is the InChIKey of 5-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]furan-2-carboxamide?
The InChIKey is IMKDPQZTMLKFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O4S/c11-7-2-1-6(17-7)9(15)12-3-4-13-8(14)5-18-10(13)16/h1-2H,3-5H2,(H,12,15).
What are the key properties of 5-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]furan-2-carboxamide?
5-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]furan-2-carboxamide has a molecular weight of 288.71 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 103622962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).