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

C8H14N2O2S — CID 60682155

IUPACN-ethyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCCNC(=O)CCN1CCSC1=O
InChIInChI=1S/C8H14N2O2S/c1-2-9-7(11)3-4-10-5-6-13-8(10)12/h2-6H2,1H3,(H,9,11)
InChIKeyTVSBVFHCYJZVDW-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.68
Rot. Bonds4

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

N-ethyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 60682155) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is N-ethyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID60682155
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC NameN-ethyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCCNC(=O)CCN1CCSC1=O
InChIInChI=1S/C8H14N2O2S/c1-2-9-7(11)3-4-10-5-6-13-8(10)12/h2-6H2,1H3,(H,9,11)
InChIKeyTVSBVFHCYJZVDW-UHFFFAOYSA-N
XLogP0.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-ethyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 60682155) is N-ethyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-ethyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-ethyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is CCNC(=O)CCN1CCSC1=O.
What is the InChIKey of N-ethyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is TVSBVFHCYJZVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-2-9-7(11)3-4-10-5-6-13-8(10)12/h2-6H2,1H3,(H,9,11).
What are the key properties of N-ethyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-ethyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 202.28 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 60682155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).