2-[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl]sulfanyl-N-methylacetamide

C10H15N3O4S2 — CID 166506369

IUPAC2-[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl]sulfanyl-N-methylacetamide
SMILESCNC(=O)CSCC(=O)NCCN1C(=O)CSC1=O
InChIInChI=1S/C10H15N3O4S2/c1-11-7(14)4-18-5-8(15)12-2-3-13-9(16)6-19-10(13)17/h2-6H2,1H3,(H,11,14)(H,12,15)
InChIKeyAVAOLCFHZLDRGU-UHFFFAOYSA-N
MW305.38 g/mol
LogP-0.72
Rot. Bonds7

About 2-[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl]sulfanyl-N-methylacetamide

2-[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl]sulfanyl-N-methylacetamide (PubChem CID 166506369) has the molecular formula C10H15N3O4S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl]sulfanyl-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl]sulfanyl-N-methylacetamide
PubChem CID166506369
Molecular FormulaC10H15N3O4S2
Molecular Weight305.38 g/mol
Exact Mass305.05
IUPAC Name2-[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl]sulfanyl-N-methylacetamide
SMILESCNC(=O)CSCC(=O)NCCN1C(=O)CSC1=O
InChIInChI=1S/C10H15N3O4S2/c1-11-7(14)4-18-5-8(15)12-2-3-13-9(16)6-19-10(13)17/h2-6H2,1H3,(H,11,14)(H,12,15)
InChIKeyAVAOLCFHZLDRGU-UHFFFAOYSA-N
XLogP-0.72
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl]sulfanyl-N-methylacetamide?
The IUPAC name of 2-[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl]sulfanyl-N-methylacetamide (CID 166506369) is 2-[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl]sulfanyl-N-methylacetamide.
What is the SMILES notation for 2-[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl]sulfanyl-N-methylacetamide?
The canonical SMILES for 2-[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl]sulfanyl-N-methylacetamide is CNC(=O)CSCC(=O)NCCN1C(=O)CSC1=O.
What is the InChIKey of 2-[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl]sulfanyl-N-methylacetamide?
The InChIKey is AVAOLCFHZLDRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S2/c1-11-7(14)4-18-5-8(15)12-2-3-13-9(16)6-19-10(13)17/h2-6H2,1H3,(H,11,14)(H,12,15).
What are the key properties of 2-[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl]sulfanyl-N-methylacetamide?
2-[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl]sulfanyl-N-methylacetamide has a molecular weight of 305.38 g/mol, XLogP of -0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl]sulfanyl-N-methylacetamide is sourced from PubChem (CID 166506369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).