N-[(E)-[(5Z)-5-[(2-fluorophenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]pyridine-4-carboxamide

C17H13FN4O2S — CID 164622795

IUPACN-[(E)-[(5Z)-5-[(2-fluorophenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]pyridine-4-carboxamide
SMILESCN1C(=O)/C(=C/c2ccccc2F)S/C1=N/NC(=O)c1ccncc1
InChIInChI=1S/C17H13FN4O2S/c1-22-16(24)14(10-12-4-2-3-5-13(12)18)25-17(22)21-20-15(23)11-6-8-19-9-7-11/h2-10H,1H3,(H,20,23)/b14-10-,21-17+
InChIKeyNVFOVWSHZZSDHO-JIXLSXQHSA-N
MW356.38 g/mol
LogP2.47
Rot. Bonds3

About N-[(E)-[(5Z)-5-[(2-fluorophenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]pyridine-4-carboxamide

N-[(E)-[(5Z)-5-[(2-fluorophenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]pyridine-4-carboxamide (PubChem CID 164622795) has the molecular formula C17H13FN4O2S and a molecular weight of 356.38 g/mol. Its IUPAC name is N-[(E)-[(5Z)-5-[(2-fluorophenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-[(5Z)-5-[(2-fluorophenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]pyridine-4-carboxamide
PubChem CID164622795
Molecular FormulaC17H13FN4O2S
Molecular Weight356.38 g/mol
Exact Mass356.07
IUPAC NameN-[(E)-[(5Z)-5-[(2-fluorophenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]pyridine-4-carboxamide
SMILESCN1C(=O)/C(=C/c2ccccc2F)S/C1=N/NC(=O)c1ccncc1
InChIInChI=1S/C17H13FN4O2S/c1-22-16(24)14(10-12-4-2-3-5-13(12)18)25-17(22)21-20-15(23)11-6-8-19-9-7-11/h2-10H,1H3,(H,20,23)/b14-10-,21-17+
InChIKeyNVFOVWSHZZSDHO-JIXLSXQHSA-N
XLogP2.47
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(5Z)-5-[(2-fluorophenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-[(5Z)-5-[(2-fluorophenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]pyridine-4-carboxamide (CID 164622795) is N-[(E)-[(5Z)-5-[(2-fluorophenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-[(5Z)-5-[(2-fluorophenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-[(5Z)-5-[(2-fluorophenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]pyridine-4-carboxamide is CN1C(=O)/C(=C/c2ccccc2F)S/C1=N/NC(=O)c1ccncc1.
What is the InChIKey of N-[(E)-[(5Z)-5-[(2-fluorophenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]pyridine-4-carboxamide?
The InChIKey is NVFOVWSHZZSDHO-JIXLSXQHSA-N. The full InChI is InChI=1S/C17H13FN4O2S/c1-22-16(24)14(10-12-4-2-3-5-13(12)18)25-17(22)21-20-15(23)11-6-8-19-9-7-11/h2-10H,1H3,(H,20,23)/b14-10-,21-17+.
What are the key properties of N-[(E)-[(5Z)-5-[(2-fluorophenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]pyridine-4-carboxamide?
N-[(E)-[(5Z)-5-[(2-fluorophenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]pyridine-4-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(5Z)-5-[(2-fluorophenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]pyridine-4-carboxamide is sourced from PubChem (CID 164622795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).