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

C11H8Cl2N2O2S2 — CID 110864228

IUPACN-(3,5-dichlorophenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1C(=O)CSC1=S)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H8Cl2N2O2S2/c12-6-1-7(13)3-8(2-6)14-9(16)4-15-10(17)5-19-11(15)18/h1-3H,4-5H2,(H,14,16)
InChIKeyGOSNZCJMPBFJQK-UHFFFAOYSA-N
MW335.24 g/mol
LogP2.79
Rot. Bonds3

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

N-(3,5-dichlorophenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide (PubChem CID 110864228) has the molecular formula C11H8Cl2N2O2S2 and a molecular weight of 335.24 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
PubChem CID110864228
Molecular FormulaC11H8Cl2N2O2S2
Molecular Weight335.24 g/mol
Exact Mass333.94
IUPAC NameN-(3,5-dichlorophenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1C(=O)CSC1=S)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H8Cl2N2O2S2/c12-6-1-7(13)3-8(2-6)14-9(16)4-15-10(17)5-19-11(15)18/h1-3H,4-5H2,(H,14,16)
InChIKeyGOSNZCJMPBFJQK-UHFFFAOYSA-N
XLogP2.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.24
LogP ≤ 52.79
H-Bond Donors ≤ 51
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-fluorophenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
CID 110858692
N-[4-(2-formylhydrazinyl)phenyl]-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
CID 14344654
2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(3,5-dichlorophenyl)acetamide
CID 7952336
N-(3,5-dichlorophenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 110689887
N-(3,5-dichlorophenyl)-2-pyrrol-1-ylacetamide
CID 110688645
3-(3,5-dichlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 17384675
N-(4-methylphenyl)-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide
CID 9411691
N-(3,5-dichlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide
CID 126213434
N-(3,5-dichlorophenyl)-2-morpholin-4-ylacetamide
CID 717337
N-(3,5-dichlorophenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7850278
N-(3-chlorophenyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
CID 17033456
N-(1,3-benzodioxol-5-yl)-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide
CID 9313892

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide (CID 110864228) is N-(3,5-dichlorophenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide is O=C(CN1C(=O)CSC1=S)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is GOSNZCJMPBFJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O2S2/c12-6-1-7(13)3-8(2-6)14-9(16)4-15-10(17)5-19-11(15)18/h1-3H,4-5H2,(H,14,16).
What are the key properties of N-(3,5-dichlorophenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide?
N-(3,5-dichlorophenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 335.24 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 110864228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).