N-(2-hydroxyethyl)-2-oxo-N-pentan-3-yl-1,3-thiazolidine-4-carboxamide

C11H20N2O3S — CID 54994379

IUPACN-(2-hydroxyethyl)-2-oxo-N-pentan-3-yl-1,3-thiazolidine-4-carboxamide
SMILESCCC(CC)N(CCO)C(=O)C1CSC(=O)N1
InChIInChI=1S/C11H20N2O3S/c1-3-8(4-2)13(5-6-14)10(15)9-7-17-11(16)12-9/h8-9,14H,3-7H2,1-2H3,(H,12,16)
InChIKeyIZMLRUSMBXLGQT-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.82
Rot. Bonds6

About N-(2-hydroxyethyl)-2-oxo-N-pentan-3-yl-1,3-thiazolidine-4-carboxamide

N-(2-hydroxyethyl)-2-oxo-N-pentan-3-yl-1,3-thiazolidine-4-carboxamide (PubChem CID 54994379) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-oxo-N-pentan-3-yl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-oxo-N-pentan-3-yl-1,3-thiazolidine-4-carboxamide
PubChem CID54994379
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC NameN-(2-hydroxyethyl)-2-oxo-N-pentan-3-yl-1,3-thiazolidine-4-carboxamide
SMILESCCC(CC)N(CCO)C(=O)C1CSC(=O)N1
InChIInChI=1S/C11H20N2O3S/c1-3-8(4-2)13(5-6-14)10(15)9-7-17-11(16)12-9/h8-9,14H,3-7H2,1-2H3,(H,12,16)
InChIKeyIZMLRUSMBXLGQT-UHFFFAOYSA-N
XLogP0.82
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-hydroxyethyl)-2-oxo-N-pentan-3-yl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2-oxo-N-pentan-3-yl-1,3-thiazolidine-4-carboxamide (CID 54994379) is N-(2-hydroxyethyl)-2-oxo-N-pentan-3-yl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-oxo-N-pentan-3-yl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-oxo-N-pentan-3-yl-1,3-thiazolidine-4-carboxamide is CCC(CC)N(CCO)C(=O)C1CSC(=O)N1.
What is the InChIKey of N-(2-hydroxyethyl)-2-oxo-N-pentan-3-yl-1,3-thiazolidine-4-carboxamide?
The InChIKey is IZMLRUSMBXLGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-3-8(4-2)13(5-6-14)10(15)9-7-17-11(16)12-9/h8-9,14H,3-7H2,1-2H3,(H,12,16).
What are the key properties of N-(2-hydroxyethyl)-2-oxo-N-pentan-3-yl-1,3-thiazolidine-4-carboxamide?
N-(2-hydroxyethyl)-2-oxo-N-pentan-3-yl-1,3-thiazolidine-4-carboxamide has a molecular weight of 260.36 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-oxo-N-pentan-3-yl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 54994379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).