N-ethoxy-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

C8H14N2O3S — CID 60717975

IUPACN-ethoxy-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCCONC(=O)CCN1CCSC1=O
InChIInChI=1S/C8H14N2O3S/c1-2-13-9-7(11)3-4-10-5-6-14-8(10)12/h2-6H2,1H3,(H,9,11)
InChIKeyBIVXKTCLQIKKRH-UHFFFAOYSA-N
MW218.28 g/mol
LogP0.61
Rot. Bonds5

About N-ethoxy-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

N-ethoxy-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 60717975) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is N-ethoxy-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-ethoxy-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID60717975
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC NameN-ethoxy-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCCONC(=O)CCN1CCSC1=O
InChIInChI=1S/C8H14N2O3S/c1-2-13-9-7(11)3-4-10-5-6-14-8(10)12/h2-6H2,1H3,(H,9,11)
InChIKeyBIVXKTCLQIKKRH-UHFFFAOYSA-N
XLogP0.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-ethoxy-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 60717975) is N-ethoxy-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-ethoxy-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-ethoxy-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is CCONC(=O)CCN1CCSC1=O.
What is the InChIKey of N-ethoxy-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is BIVXKTCLQIKKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S/c1-2-13-9-7(11)3-4-10-5-6-14-8(10)12/h2-6H2,1H3,(H,9,11).
What are the key properties of N-ethoxy-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-ethoxy-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 218.28 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 60717975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).