N-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)pyridine-4-carboxamide

C10H9N3O2S — CID 135433287

IUPACN-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)pyridine-4-carboxamide
SMILESCC1S/C(=N/C(=O)c2ccncc2)NC1=O
InChIInChI=1S/C10H9N3O2S/c1-6-8(14)12-10(16-6)13-9(15)7-2-4-11-5-3-7/h2-6H,1H3,(H,12,13,14,15)
InChIKeyCCSNJZNGPXZTPO-UHFFFAOYSA-N
MW235.27 g/mol
LogP0.83
Rot. Bonds1

About N-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)pyridine-4-carboxamide

N-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)pyridine-4-carboxamide (PubChem CID 135433287) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is N-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)pyridine-4-carboxamide
PubChem CID135433287
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC NameN-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)pyridine-4-carboxamide
SMILESCC1S/C(=N/C(=O)c2ccncc2)NC1=O
InChIInChI=1S/C10H9N3O2S/c1-6-8(14)12-10(16-6)13-9(15)7-2-4-11-5-3-7/h2-6H,1H3,(H,12,13,14,15)
InChIKeyCCSNJZNGPXZTPO-UHFFFAOYSA-N
XLogP0.83
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)pyridine-4-carboxamide?
The IUPAC name of N-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)pyridine-4-carboxamide (CID 135433287) is N-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)pyridine-4-carboxamide.
What is the SMILES notation for N-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)pyridine-4-carboxamide?
The canonical SMILES for N-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)pyridine-4-carboxamide is CC1S/C(=N/C(=O)c2ccncc2)NC1=O.
What is the InChIKey of N-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)pyridine-4-carboxamide?
The InChIKey is CCSNJZNGPXZTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c1-6-8(14)12-10(16-6)13-9(15)7-2-4-11-5-3-7/h2-6H,1H3,(H,12,13,14,15).
What are the key properties of N-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)pyridine-4-carboxamide?
N-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)pyridine-4-carboxamide has a molecular weight of 235.27 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)pyridine-4-carboxamide is sourced from PubChem (CID 135433287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).