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

C9H8N4O2S — CID 135585311

IUPACN-[(Z)-(2-oxo-1,3-thiazolidin-4-ylidene)amino]pyridine-4-carboxamide
SMILESO=C1N/C(=N\NC(=O)c2ccncc2)CS1
InChIInChI=1S/C9H8N4O2S/c14-8(6-1-3-10-4-2-6)13-12-7-5-16-9(15)11-7/h1-4H,5H2,(H,13,14)(H,11,12,15)
InChIKeyGSSZBJFIPRDSOF-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.58
Rot. Bonds2

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

N-[(Z)-(2-oxo-1,3-thiazolidin-4-ylidene)amino]pyridine-4-carboxamide (PubChem CID 135585311) has the molecular formula C9H8N4O2S and a molecular weight of 236.26 g/mol. Its IUPAC name is N-[(Z)-(2-oxo-1,3-thiazolidin-4-ylidene)amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-oxo-1,3-thiazolidin-4-ylidene)amino]pyridine-4-carboxamide
PubChem CID135585311
Molecular FormulaC9H8N4O2S
Molecular Weight236.26 g/mol
Exact Mass236.04
IUPAC NameN-[(Z)-(2-oxo-1,3-thiazolidin-4-ylidene)amino]pyridine-4-carboxamide
SMILESO=C1N/C(=N\NC(=O)c2ccncc2)CS1
InChIInChI=1S/C9H8N4O2S/c14-8(6-1-3-10-4-2-6)13-12-7-5-16-9(15)11-7/h1-4H,5H2,(H,13,14)(H,11,12,15)
InChIKeyGSSZBJFIPRDSOF-UHFFFAOYSA-N
XLogP0.58
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 ≤ 50.58
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'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-oxo-1,3-thiazolidin-4-ylidene)amino]pyridine-4-carboxamide?
The IUPAC name of N-[(Z)-(2-oxo-1,3-thiazolidin-4-ylidene)amino]pyridine-4-carboxamide (CID 135585311) is N-[(Z)-(2-oxo-1,3-thiazolidin-4-ylidene)amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(Z)-(2-oxo-1,3-thiazolidin-4-ylidene)amino]pyridine-4-carboxamide?
The canonical SMILES for N-[(Z)-(2-oxo-1,3-thiazolidin-4-ylidene)amino]pyridine-4-carboxamide is O=C1N/C(=N\NC(=O)c2ccncc2)CS1.
What is the InChIKey of N-[(Z)-(2-oxo-1,3-thiazolidin-4-ylidene)amino]pyridine-4-carboxamide?
The InChIKey is GSSZBJFIPRDSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2S/c14-8(6-1-3-10-4-2-6)13-12-7-5-16-9(15)11-7/h1-4H,5H2,(H,13,14)(H,11,12,15).
What are the key properties of N-[(Z)-(2-oxo-1,3-thiazolidin-4-ylidene)amino]pyridine-4-carboxamide?
N-[(Z)-(2-oxo-1,3-thiazolidin-4-ylidene)amino]pyridine-4-carboxamide has a molecular weight of 236.26 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-oxo-1,3-thiazolidin-4-ylidene)amino]pyridine-4-carboxamide is sourced from PubChem (CID 135585311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).