N-ethyl-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide

C11H17N3O3S — CID 54057149

IUPACN-ethyl-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide
SMILESCCNC(=O)C1CSCN1C(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C11H17N3O3S/c1-2-12-10(16)8-5-18-6-14(8)11(17)7-3-4-9(15)13-7/h7-8H,2-6H2,1H3,(H,12,16)(H,13,15)/t7-,8?/m0/s1
InChIKeyLXARXVVGZRNWSV-JAMMHHFISA-N
MW271.34 g/mol
LogP-0.70
Rot. Bonds3

About N-ethyl-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide

N-ethyl-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 54057149) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-ethyl-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide
PubChem CID54057149
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC NameN-ethyl-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide
SMILESCCNC(=O)C1CSCN1C(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C11H17N3O3S/c1-2-12-10(16)8-5-18-6-14(8)11(17)7-3-4-9(15)13-7/h7-8H,2-6H2,1H3,(H,12,16)(H,13,15)/t7-,8?/m0/s1
InChIKeyLXARXVVGZRNWSV-JAMMHHFISA-N
XLogP-0.70
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-ethyl-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide (CID 54057149) is N-ethyl-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-ethyl-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-ethyl-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide is CCNC(=O)C1CSCN1C(=O)[C@@H]1CCC(=O)N1.
What is the InChIKey of N-ethyl-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is LXARXVVGZRNWSV-JAMMHHFISA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-2-12-10(16)8-5-18-6-14(8)11(17)7-3-4-9(15)13-7/h7-8H,2-6H2,1H3,(H,12,16)(H,13,15)/t7-,8?/m0/s1.
What are the key properties of N-ethyl-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide?
N-ethyl-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 271.34 g/mol, XLogP of -0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 54057149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).