2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(2-sulfanylphenyl)acetamide

C11H8N2O3S2 — CID 4737190

IUPAC2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(2-sulfanylphenyl)acetamide
SMILESO=C(C=C1SC(=O)NC1=O)Nc1ccccc1S
InChIInChI=1S/C11H8N2O3S2/c14-9(5-8-10(15)13-11(16)18-8)12-6-3-1-2-4-7(6)17/h1-5,17H,(H,12,14)(H,13,15,16)
InChIKeyMLXTUFAXCFNIDQ-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.78
Rot. Bonds2

About 2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(2-sulfanylphenyl)acetamide

2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(2-sulfanylphenyl)acetamide (PubChem CID 4737190) has the molecular formula C11H8N2O3S2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(2-sulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(2-sulfanylphenyl)acetamide
PubChem CID4737190
Molecular FormulaC11H8N2O3S2
Molecular Weight280.33 g/mol
Exact Mass280.00
IUPAC Name2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(2-sulfanylphenyl)acetamide
SMILESO=C(C=C1SC(=O)NC1=O)Nc1ccccc1S
InChIInChI=1S/C11H8N2O3S2/c14-9(5-8-10(15)13-11(16)18-8)12-6-3-1-2-4-7(6)17/h1-5,17H,(H,12,14)(H,13,15,16)
InChIKeyMLXTUFAXCFNIDQ-UHFFFAOYSA-N
XLogP1.78
TPSA75.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(2-methoxyphenyl)acetamide
CID 6199592
N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide
CID 4737197
N-benzyl-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide
CID 2905869
(2Z)-N-(3-chlorophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide
CID 18809115
(2Z)-N-(3-bromophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide
CID 18809143
(2Z)-N-(4-acetylphenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide
CID 18809133
2-oxo-N-(2-sulfanylphenyl)acetamide
CID 173253850
(2Z)-N-(3-chloro-4-methylphenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide
CID 18809139
(2E)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[6-[[(2E)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetyl]amino]hexyl]acetamide
CID 39840446
(2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 7221094
(2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 7221097
N-(3-methylbutan-2-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide
CID 91903413

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(2-sulfanylphenyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(2-sulfanylphenyl)acetamide (CID 4737190) is 2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(2-sulfanylphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(2-sulfanylphenyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(2-sulfanylphenyl)acetamide is O=C(C=C1SC(=O)NC1=O)Nc1ccccc1S.
What is the InChIKey of 2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(2-sulfanylphenyl)acetamide?
The InChIKey is MLXTUFAXCFNIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3S2/c14-9(5-8-10(15)13-11(16)18-8)12-6-3-1-2-4-7(6)17/h1-5,17H,(H,12,14)(H,13,15,16).
What are the key properties of 2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(2-sulfanylphenyl)acetamide?
2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(2-sulfanylphenyl)acetamide has a molecular weight of 280.33 g/mol, XLogP of 1.78, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(2-sulfanylphenyl)acetamide is sourced from PubChem (CID 4737190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).