N-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]pyridine-4-carboxamide

C9H8N4O2S — CID 135752733

IUPACN-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]pyridine-4-carboxamide
SMILESO=C1CS/C(=N\NC(=O)c2ccncc2)N1
InChIInChI=1S/C9H8N4O2S/c14-7-5-16-9(11-7)13-12-8(15)6-1-3-10-4-2-6/h1-4H,5H2,(H,12,15)(H,11,13,14)
InChIKeyGELLGPUDFMBDOD-UHFFFAOYSA-N
MW236.26 g/mol
LogP-0.05
Rot. Bonds2

About N-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]pyridine-4-carboxamide

N-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]pyridine-4-carboxamide (PubChem CID 135752733) has the molecular formula C9H8N4O2S and a molecular weight of 236.26 g/mol. Its IUPAC name is N-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]pyridine-4-carboxamide
PubChem CID135752733
Molecular FormulaC9H8N4O2S
Molecular Weight236.26 g/mol
Exact Mass236.04
IUPAC NameN-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]pyridine-4-carboxamide
SMILESO=C1CS/C(=N\NC(=O)c2ccncc2)N1
InChIInChI=1S/C9H8N4O2S/c14-7-5-16-9(11-7)13-12-8(15)6-1-3-10-4-2-6/h1-4H,5H2,(H,12,15)(H,11,13,14)
InChIKeyGELLGPUDFMBDOD-UHFFFAOYSA-N
XLogP-0.05
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Acetylisoniazid
CID 71602
Crotoniazide
CID 5369886
4-Pyridinecarboxylic acid, 2-cyclopentylidenehydrazide
CID 199574
Crotonaldehyde isonicotinic acid hydrazone
CID 5717190
N-(4-Oxo-2-thioxo-3-thiazolidinyl)-4-pyridinecarboxamide
CID 202691
N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide
CID 659441
Acetaldehyde isonicotinoyl hydrazone
CID 9574229
N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pyridine-3-carboxamide Hydrochloride
CID 2788163
2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4(5H)-one
CID 135402702
4-Pyridinecarboxamide, N-(4-oxo-5-(phenylmethylene)-2-thioxo-3-thiazolidinyl)-
CID 1274205
2-(Amidinoamidino)hydrazide isonicotinic acid
CID 5479723
N'-(2-phenylsulfanylacetyl)pyridine-4-carbohydrazide
CID 965573

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]pyridine-4-carboxamide?
The IUPAC name of N-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]pyridine-4-carboxamide (CID 135752733) is N-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]pyridine-4-carboxamide?
The canonical SMILES for N-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]pyridine-4-carboxamide is O=C1CS/C(=N\NC(=O)c2ccncc2)N1.
What is the InChIKey of N-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]pyridine-4-carboxamide?
The InChIKey is GELLGPUDFMBDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2S/c14-7-5-16-9(11-7)13-12-8(15)6-1-3-10-4-2-6/h1-4H,5H2,(H,12,15)(H,11,13,14).
What are the key properties of N-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]pyridine-4-carboxamide?
N-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]pyridine-4-carboxamide has a molecular weight of 236.26 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]pyridine-4-carboxamide is sourced from PubChem (CID 135752733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).