2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(3-hydroxypropyl)acetamide

C8H12N2O4S — CID 27409956

IUPAC2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(3-hydroxypropyl)acetamide
SMILESO=C(CN1C(=O)CSC1=O)NCCCO
InChIInChI=1S/C8H12N2O4S/c11-3-1-2-9-6(12)4-10-7(13)5-15-8(10)14/h11H,1-5H2,(H,9,12)
InChIKeyCYUAYWFRORSRCJ-UHFFFAOYSA-N
MW232.26 g/mol
LogP-0.82
Rot. Bonds5

About 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(3-hydroxypropyl)acetamide

2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(3-hydroxypropyl)acetamide (PubChem CID 27409956) has the molecular formula C8H12N2O4S and a molecular weight of 232.26 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(3-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(3-hydroxypropyl)acetamide
PubChem CID27409956
Molecular FormulaC8H12N2O4S
Molecular Weight232.26 g/mol
Exact Mass232.05
IUPAC Name2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(3-hydroxypropyl)acetamide
SMILESO=C(CN1C(=O)CSC1=O)NCCCO
InChIInChI=1S/C8H12N2O4S/c11-3-1-2-9-6(12)4-10-7(13)5-15-8(10)14/h11H,1-5H2,(H,9,12)
InChIKeyCYUAYWFRORSRCJ-UHFFFAOYSA-N
XLogP-0.82
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 104858043
5-[3-Methoxypropyl(methyl)amino]-1,3-thiazolidine-2,4-dione
CID 118244865
N-(3-hydroxypropyl)-1,3-thiazolidine-2-carboxamide
CID 122522048
2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-hydroxyethyl)acetamide
CID 27409955
3-[[2-(2,4-Dioxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid
CID 27409958
3-[[2-(4-Oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid
CID 43354693
N-(3-hydroxypropyl)-1,3-thiazolidine-4-carboxamide
CID 43363341
N-(2-hydroxyethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 43392541
N-(3-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 43417735
N-(2-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 43418395
N-(1-hydroxypropan-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 43418994
N-(3-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 43500341

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(3-hydroxypropyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(3-hydroxypropyl)acetamide (CID 27409956) is 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(3-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(3-hydroxypropyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(3-hydroxypropyl)acetamide is O=C(CN1C(=O)CSC1=O)NCCCO.
What is the InChIKey of 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(3-hydroxypropyl)acetamide?
The InChIKey is CYUAYWFRORSRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4S/c11-3-1-2-9-6(12)4-10-7(13)5-15-8(10)14/h11H,1-5H2,(H,9,12).
What are the key properties of 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(3-hydroxypropyl)acetamide?
2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(3-hydroxypropyl)acetamide has a molecular weight of 232.26 g/mol, XLogP of -0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(3-hydroxypropyl)acetamide is sourced from PubChem (CID 27409956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).