2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N-phenylacetamide

C11H10N2O2S2 — CID 25220247

IUPAC2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N-phenylacetamide
SMILESO=C(CC1SC(=S)NC1=O)Nc1ccccc1
InChIInChI=1S/C11H10N2O2S2/c14-9(12-7-4-2-1-3-5-7)6-8-10(15)13-11(16)17-8/h1-5,8H,6H2,(H,12,14)(H,13,15,16)
InChIKeyKWQDIOAYBCFGEE-UHFFFAOYSA-N
MW266.35 g/mol
LogP1.53
Rot. Bonds3

About 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N-phenylacetamide

2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N-phenylacetamide (PubChem CID 25220247) has the molecular formula C11H10N2O2S2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N-phenylacetamide
PubChem CID25220247
Molecular FormulaC11H10N2O2S2
Molecular Weight266.35 g/mol
Exact Mass266.02
IUPAC Name2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N-phenylacetamide
SMILESO=C(CC1SC(=S)NC1=O)Nc1ccccc1
InChIInChI=1S/C11H10N2O2S2/c14-9(12-7-4-2-1-3-5-7)6-8-10(15)13-11(16)17-8/h1-5,8H,6H2,(H,12,14)(H,13,15,16)
InChIKeyKWQDIOAYBCFGEE-UHFFFAOYSA-N
XLogP1.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
CID 25220255
N-(4-chlorophenyl)-2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
CID 93020224
3-[[2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
CID 93020293
N-(3-methylphenyl)-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
CID 51674371
N-(2-bromophenyl)-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
CID 93020213
N-(4-ethoxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
CID 25220298
2-chloro-5-[[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetyl]amino]benzoic acid
CID 25220301
2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 93020323
2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-[4-[[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl]acetamide
CID 2135569
N-(2-methoxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
CID 25220287
2-[(5R)-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135692217
N-(1H-indol-5-yl)-2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
CID 93020330

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N-phenylacetamide?
The IUPAC name of 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N-phenylacetamide (CID 25220247) is 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N-phenylacetamide?
The canonical SMILES for 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N-phenylacetamide is O=C(CC1SC(=S)NC1=O)Nc1ccccc1.
What is the InChIKey of 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N-phenylacetamide?
The InChIKey is KWQDIOAYBCFGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S2/c14-9(12-7-4-2-1-3-5-7)6-8-10(15)13-11(16)17-8/h1-5,8H,6H2,(H,12,14)(H,13,15,16).
What are the key properties of 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N-phenylacetamide?
2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N-phenylacetamide has a molecular weight of 266.35 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N-phenylacetamide is sourced from PubChem (CID 25220247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).