N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(pyridin-2-ylmethyl)oxamide

C17H18N4O4S — CID 7638953

IUPACN'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(pyridin-2-ylmethyl)oxamide
SMILESO=C(NCc1ccccn1)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C17H18N4O4S/c22-16(19-12-14-5-1-2-8-18-14)17(23)20-13-6-3-7-15(11-13)21-9-4-10-26(21,24)25/h1-3,5-8,11H,4,9-10,12H2,(H,19,22)(H,20,23)
InChIKeyOWYZBHZKBFYSEV-UHFFFAOYSA-N
MW374.42 g/mol
LogP0.88
Rot. Bonds4

About N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(pyridin-2-ylmethyl)oxamide

N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(pyridin-2-ylmethyl)oxamide (PubChem CID 7638953) has the molecular formula C17H18N4O4S and a molecular weight of 374.42 g/mol. Its IUPAC name is N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(pyridin-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(pyridin-2-ylmethyl)oxamide
PubChem CID7638953
Molecular FormulaC17H18N4O4S
Molecular Weight374.42 g/mol
Exact Mass374.10
IUPAC NameN'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(pyridin-2-ylmethyl)oxamide
SMILESO=C(NCc1ccccn1)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C17H18N4O4S/c22-16(19-12-14-5-1-2-8-18-14)17(23)20-13-6-3-7-15(11-13)21-9-4-10-26(21,24)25/h1-3,5-8,11H,4,9-10,12H2,(H,19,22)(H,20,23)
InChIKeyOWYZBHZKBFYSEV-UHFFFAOYSA-N
XLogP0.88
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(pyridin-2-ylmethyl)oxamide?
The IUPAC name of N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(pyridin-2-ylmethyl)oxamide (CID 7638953) is N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(pyridin-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(pyridin-2-ylmethyl)oxamide?
The canonical SMILES for N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(pyridin-2-ylmethyl)oxamide is O=C(NCc1ccccn1)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1.
What is the InChIKey of N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(pyridin-2-ylmethyl)oxamide?
The InChIKey is OWYZBHZKBFYSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4S/c22-16(19-12-14-5-1-2-8-18-14)17(23)20-13-6-3-7-15(11-13)21-9-4-10-26(21,24)25/h1-3,5-8,11H,4,9-10,12H2,(H,19,22)(H,20,23).
What are the key properties of N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(pyridin-2-ylmethyl)oxamide?
N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(pyridin-2-ylmethyl)oxamide has a molecular weight of 374.42 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(pyridin-2-ylmethyl)oxamide is sourced from PubChem (CID 7638953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).