2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-[(1-methylazetidin-3-yl)methyl]acetamide

C10H15N3O3S — CID 89470156

IUPAC2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-[(1-methylazetidin-3-yl)methyl]acetamide
SMILESCN1CC(CNC(=O)CN2C(=O)CSC2=O)C1
InChIInChI=1S/C10H15N3O3S/c1-12-3-7(4-12)2-11-8(14)5-13-9(15)6-17-10(13)16/h7H,2-6H2,1H3,(H,11,14)
InChIKeyOZNXZQCSLHQGSI-UHFFFAOYSA-N
MW257.31 g/mol
LogP-0.64
Rot. Bonds4

About 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-[(1-methylazetidin-3-yl)methyl]acetamide

2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-[(1-methylazetidin-3-yl)methyl]acetamide (PubChem CID 89470156) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-[(1-methylazetidin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-[(1-methylazetidin-3-yl)methyl]acetamide
PubChem CID89470156
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-[(1-methylazetidin-3-yl)methyl]acetamide
SMILESCN1CC(CNC(=O)CN2C(=O)CSC2=O)C1
InChIInChI=1S/C10H15N3O3S/c1-12-3-7(4-12)2-11-8(14)5-13-9(15)6-17-10(13)16/h7H,2-6H2,1H3,(H,11,14)
InChIKeyOZNXZQCSLHQGSI-UHFFFAOYSA-N
XLogP-0.64
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide
CID 87421132
(E)-N-[(1-methylazetidin-3-yl)methyl]but-2-enamide
CID 131242291
2-bromo-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 63679671
2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-ethoxyphenyl)acetamide
CID 3155220
N'-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propyl]-N-methylpropanediamide
CID 166506283
3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanehydrazide
CID 63573915
2-[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl]sulfanyl-N-ethylacetamide
CID 167261153
2-[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl]sulfanyl-N-methylacetamide
CID 166506369
3-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]propanamide
CID 43470811
(3S)-1-(cyclopropylmethyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 95129571
N-(2,4-dimethylphenyl)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide
CID 4910885
2-cyano-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 22689011

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-[(1-methylazetidin-3-yl)methyl]acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-[(1-methylazetidin-3-yl)methyl]acetamide (CID 89470156) is 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-[(1-methylazetidin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-[(1-methylazetidin-3-yl)methyl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-[(1-methylazetidin-3-yl)methyl]acetamide is CN1CC(CNC(=O)CN2C(=O)CSC2=O)C1.
What is the InChIKey of 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-[(1-methylazetidin-3-yl)methyl]acetamide?
The InChIKey is OZNXZQCSLHQGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-12-3-7(4-12)2-11-8(14)5-13-9(15)6-17-10(13)16/h7H,2-6H2,1H3,(H,11,14).
What are the key properties of 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-[(1-methylazetidin-3-yl)methyl]acetamide?
2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-[(1-methylazetidin-3-yl)methyl]acetamide has a molecular weight of 257.31 g/mol, XLogP of -0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-[(1-methylazetidin-3-yl)methyl]acetamide is sourced from PubChem (CID 89470156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).