N-(2-ethoxyethyl)-1,3-thiazolidine-4-carboxamide

C8H16N2O2S — CID 43591422

IUPACN-(2-ethoxyethyl)-1,3-thiazolidine-4-carboxamide
SMILESCCOCCNC(=O)C1CSCN1
InChIInChI=1S/C8H16N2O2S/c1-2-12-4-3-9-8(11)7-5-13-6-10-7/h7,10H,2-6H2,1H3,(H,9,11)
InChIKeyZPJGPVMMAGNBDF-UHFFFAOYSA-N
MW204.29 g/mol
LogP-0.20
Rot. Bonds5

About N-(2-ethoxyethyl)-1,3-thiazolidine-4-carboxamide

N-(2-ethoxyethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 43591422) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID43591422
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC NameN-(2-ethoxyethyl)-1,3-thiazolidine-4-carboxamide
SMILESCCOCCNC(=O)C1CSCN1
InChIInChI=1S/C8H16N2O2S/c1-2-12-4-3-9-8(11)7-5-13-6-10-7/h7,10H,2-6H2,1H3,(H,9,11)
InChIKeyZPJGPVMMAGNBDF-UHFFFAOYSA-N
XLogP-0.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2-ethoxyethyl)-1,3-thiazolidine-4-carboxamide (CID 43591422) is N-(2-ethoxyethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2-ethoxyethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2-ethoxyethyl)-1,3-thiazolidine-4-carboxamide is CCOCCNC(=O)C1CSCN1.
What is the InChIKey of N-(2-ethoxyethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is ZPJGPVMMAGNBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-2-12-4-3-9-8(11)7-5-13-6-10-7/h7,10H,2-6H2,1H3,(H,9,11).
What are the key properties of N-(2-ethoxyethyl)-1,3-thiazolidine-4-carboxamide?
N-(2-ethoxyethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 204.29 g/mol, XLogP of -0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 43591422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).