N'-(2-chloro-3-pyridinyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide

C12H11ClN4O4S — CID 108520506

IUPACN'-(2-chloro-3-pyridinyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide
SMILESO=C(NCCN1C(=O)CSC1=O)C(=O)Nc1cccnc1Cl
InChIInChI=1S/C12H11ClN4O4S/c13-9-7(2-1-3-14-9)16-11(20)10(19)15-4-5-17-8(18)6-22-12(17)21/h1-3H,4-6H2,(H,15,19)(H,16,20)
InChIKeyRFQXPMUCZRVUAQ-UHFFFAOYSA-N
MW342.76 g/mol
LogP0.49
Rot. Bonds4

About N'-(2-chloro-3-pyridinyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide

N'-(2-chloro-3-pyridinyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide (PubChem CID 108520506) has the molecular formula C12H11ClN4O4S and a molecular weight of 342.76 g/mol. Its IUPAC name is N'-(2-chloro-3-pyridinyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(2-chloro-3-pyridinyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide
PubChem CID108520506
Molecular FormulaC12H11ClN4O4S
Molecular Weight342.76 g/mol
Exact Mass342.02
IUPAC NameN'-(2-chloro-3-pyridinyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide
SMILESO=C(NCCN1C(=O)CSC1=O)C(=O)Nc1cccnc1Cl
InChIInChI=1S/C12H11ClN4O4S/c13-9-7(2-1-3-14-9)16-11(20)10(19)15-4-5-17-8(18)6-22-12(17)21/h1-3H,4-6H2,(H,15,19)(H,16,20)
InChIKeyRFQXPMUCZRVUAQ-UHFFFAOYSA-N
XLogP0.49
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.76
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N'-(4-chloro-2-methylphenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide
CID 108524156
N'-(2-chloro-3-pyridinyl)-N-(3-hydroxypropyl)oxamide
CID 44999728
N'-(2,6-difluorophenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide
CID 108522144
N'-[(2-chlorophenyl)methyl]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide
CID 108506190
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N'-(4-fluorophenyl)oxamide
CID 108512666
N'-[(4-chlorophenyl)methyl]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide
CID 108507812
N'-(2-chloro-3-pyridinyl)-N-[2-(diethylamino)ethyl]oxamide
CID 44902462
N'-(2-chloro-3-pyridinyl)-N-(2-phenylethyl)oxamide
CID 44999763
butyl 2-[[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoacetyl]amino]benzoate
CID 108514698
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N'-(4-ethylphenyl)oxamide
CID 108522361
1-(2-chloro-3-pyridinyl)-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]urea
CID 48805192
N'-(2,5-dimethoxyphenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide
CID 108512004

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-3-pyridinyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide?
The IUPAC name of N'-(2-chloro-3-pyridinyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide (CID 108520506) is N'-(2-chloro-3-pyridinyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide.
What is the SMILES notation for N'-(2-chloro-3-pyridinyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide?
The canonical SMILES for N'-(2-chloro-3-pyridinyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide is O=C(NCCN1C(=O)CSC1=O)C(=O)Nc1cccnc1Cl.
What is the InChIKey of N'-(2-chloro-3-pyridinyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide?
The InChIKey is RFQXPMUCZRVUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O4S/c13-9-7(2-1-3-14-9)16-11(20)10(19)15-4-5-17-8(18)6-22-12(17)21/h1-3H,4-6H2,(H,15,19)(H,16,20).
What are the key properties of N'-(2-chloro-3-pyridinyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide?
N'-(2-chloro-3-pyridinyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide has a molecular weight of 342.76 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-3-pyridinyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide is sourced from PubChem (CID 108520506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).