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

C9H16N2O3S — CID 43572989

IUPACN-(2-hydroxyethyl)-2-oxo-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
SMILESCC(C)N(CCO)C(=O)C1CSC(=O)N1
InChIInChI=1S/C9H16N2O3S/c1-6(2)11(3-4-12)8(13)7-5-15-9(14)10-7/h6-7,12H,3-5H2,1-2H3,(H,10,14)
InChIKeyNNFYYBLYBYIDGX-UHFFFAOYSA-N
MW232.30 g/mol
LogP0.04
Rot. Bonds4

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

N-(2-hydroxyethyl)-2-oxo-N-propan-2-yl-1,3-thiazolidine-4-carboxamide (PubChem CID 43572989) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-oxo-N-propan-2-yl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-oxo-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
PubChem CID43572989
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC NameN-(2-hydroxyethyl)-2-oxo-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
SMILESCC(C)N(CCO)C(=O)C1CSC(=O)N1
InChIInChI=1S/C9H16N2O3S/c1-6(2)11(3-4-12)8(13)7-5-15-9(14)10-7/h6-7,12H,3-5H2,1-2H3,(H,10,14)
InChIKeyNNFYYBLYBYIDGX-UHFFFAOYSA-N
XLogP0.04
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 50.04
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-propan-2-yl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2-oxo-N-propan-2-yl-1,3-thiazolidine-4-carboxamide (CID 43572989) is N-(2-hydroxyethyl)-2-oxo-N-propan-2-yl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-oxo-N-propan-2-yl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-oxo-N-propan-2-yl-1,3-thiazolidine-4-carboxamide is CC(C)N(CCO)C(=O)C1CSC(=O)N1.
What is the InChIKey of N-(2-hydroxyethyl)-2-oxo-N-propan-2-yl-1,3-thiazolidine-4-carboxamide?
The InChIKey is NNFYYBLYBYIDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-6(2)11(3-4-12)8(13)7-5-15-9(14)10-7/h6-7,12H,3-5H2,1-2H3,(H,10,14).
What are the key properties of N-(2-hydroxyethyl)-2-oxo-N-propan-2-yl-1,3-thiazolidine-4-carboxamide?
N-(2-hydroxyethyl)-2-oxo-N-propan-2-yl-1,3-thiazolidine-4-carboxamide has a molecular weight of 232.30 g/mol, XLogP of 0.04, 4 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-propan-2-yl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 43572989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).