N-(2-hydroxyethyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide

C8H12N2O3S2 — CID 17033524

IUPACN-(2-hydroxyethyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
SMILESCC1SC(=S)N(CC(=O)NCCO)C1=O
InChIInChI=1S/C8H12N2O3S2/c1-5-7(13)10(8(14)15-5)4-6(12)9-2-3-11/h5,11H,2-4H2,1H3,(H,9,12)
InChIKeyLCGDSLWYYGRESJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP-0.66
Rot. Bonds4

About N-(2-hydroxyethyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide

N-(2-hydroxyethyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide (PubChem CID 17033524) has the molecular formula C8H12N2O3S2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
PubChem CID17033524
Molecular FormulaC8H12N2O3S2
Molecular Weight248.33 g/mol
Exact Mass248.03
IUPAC NameN-(2-hydroxyethyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
SMILESCC1SC(=S)N(CC(=O)NCCO)C1=O
InChIInChI=1S/C8H12N2O3S2/c1-5-7(13)10(8(14)15-5)4-6(12)9-2-3-11/h5,11H,2-4H2,1H3,(H,9,12)
InChIKeyLCGDSLWYYGRESJ-UHFFFAOYSA-N
XLogP-0.66
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide (CID 17033524) is N-(2-hydroxyethyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide is CC1SC(=S)N(CC(=O)NCCO)C1=O.
What is the InChIKey of N-(2-hydroxyethyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is LCGDSLWYYGRESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S2/c1-5-7(13)10(8(14)15-5)4-6(12)9-2-3-11/h5,11H,2-4H2,1H3,(H,9,12).
What are the key properties of N-(2-hydroxyethyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide?
N-(2-hydroxyethyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 248.33 g/mol, XLogP of -0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 17033524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).