N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide

C22H20N4O3S2 — CID 2498201

IUPACN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)NCCN1C(=O)CSC1=O
InChIInChI=1S/C22H20N4O3S2/c27-17(23-11-12-26-18(28)14-31-22(26)29)13-30-21-24-19(15-7-3-1-4-8-15)20(25-21)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,23,27)(H,24,25)
InChIKeyJEPLLFQAJUMBQL-UHFFFAOYSA-N
MW452.56 g/mol
LogP3.65
Rot. Bonds8

About N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide

N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide (PubChem CID 2498201) has the molecular formula C22H20N4O3S2 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
PubChem CID2498201
Molecular FormulaC22H20N4O3S2
Molecular Weight452.56 g/mol
Exact Mass452.10
IUPAC NameN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)NCCN1C(=O)CSC1=O
InChIInChI=1S/C22H20N4O3S2/c27-17(23-11-12-26-18(28)14-31-22(26)29)13-30-21-24-19(15-7-3-1-4-8-15)20(25-21)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,23,27)(H,24,25)
InChIKeyJEPLLFQAJUMBQL-UHFFFAOYSA-N
XLogP3.65
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 53.65
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 N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide (CID 2498201) is N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide is O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)NCCN1C(=O)CSC1=O.
What is the InChIKey of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The InChIKey is JEPLLFQAJUMBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S2/c27-17(23-11-12-26-18(28)14-31-22(26)29)13-30-21-24-19(15-7-3-1-4-8-15)20(25-21)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,23,27)(H,24,25).
What are the key properties of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide has a molecular weight of 452.56 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2498201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).