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

C16H10Cl2N4O2S — CID 136522661

IUPACN-[(E)-[5-[(2,3-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]pyridine-4-carboxamide
SMILESO=C1N/C(=N\NC(=O)c2ccncc2)SC1=Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H10Cl2N4O2S/c17-11-3-1-2-10(13(11)18)8-12-15(24)20-16(25-12)22-21-14(23)9-4-6-19-7-5-9/h1-8H,(H,21,23)(H,20,22,24)
InChIKeyWSZSDQCGZSAOAT-UHFFFAOYSA-N
MW393.26 g/mol
LogP3.29
Rot. Bonds3

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

N-[(E)-[5-[(2,3-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]pyridine-4-carboxamide (PubChem CID 136522661) has the molecular formula C16H10Cl2N4O2S and a molecular weight of 393.26 g/mol. Its IUPAC name is N-[(E)-[5-[(2,3-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-[5-[(2,3-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]pyridine-4-carboxamide
PubChem CID136522661
Molecular FormulaC16H10Cl2N4O2S
Molecular Weight393.26 g/mol
Exact Mass391.99
IUPAC NameN-[(E)-[5-[(2,3-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]pyridine-4-carboxamide
SMILESO=C1N/C(=N\NC(=O)c2ccncc2)SC1=Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H10Cl2N4O2S/c17-11-3-1-2-10(13(11)18)8-12-15(24)20-16(25-12)22-21-14(23)9-4-6-19-7-5-9/h1-8H,(H,21,23)(H,20,22,24)
InChIKeyWSZSDQCGZSAOAT-UHFFFAOYSA-N
XLogP3.29
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.26
LogP ≤ 53.29
H-Bond Donors ≤ 52
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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Related Compounds

N-[(E)-[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]pyridine-4-carboxamide
CID 135445084
N-[[(5Z)-5-[[5-bromo-2-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]pyridine-4-carboxamide
CID 136911730
N-[(E)-[5-[[5-bromo-2-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]pyridine-4-carboxamide
CID 137216652
(5E)-5-[(2-chlorophenyl)methylidene]-2-hydroxyimino-1,3-thiazolidin-4-one
CID 137223035
N-[(E)-[(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide
CID 135873603
N-[(Z)-[(5Z)-5-[[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]pyridine-4-carboxamide
CID 135844812
(5Z)-2-(2-chlorophenyl)imino-5-[(2-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135490668
(2Z,5Z)-5-[(2-chlorophenyl)methylidene]-2-[(Z)-(2-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135887753
(5Z)-5-[(2-chlorophenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 135426206
2-[(E)-[2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 135698846
4-methoxy-N-[(E)-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide
CID 135621814
[(Z)-[(5E)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]thiourea
CID 137265880

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-[(2,3-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-[5-[(2,3-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]pyridine-4-carboxamide (CID 136522661) is N-[(E)-[5-[(2,3-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-[5-[(2,3-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-[5-[(2,3-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]pyridine-4-carboxamide is O=C1N/C(=N\NC(=O)c2ccncc2)SC1=Cc1cccc(Cl)c1Cl.
What is the InChIKey of N-[(E)-[5-[(2,3-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]pyridine-4-carboxamide?
The InChIKey is WSZSDQCGZSAOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N4O2S/c17-11-3-1-2-10(13(11)18)8-12-15(24)20-16(25-12)22-21-14(23)9-4-6-19-7-5-9/h1-8H,(H,21,23)(H,20,22,24).
What are the key properties of N-[(E)-[5-[(2,3-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]pyridine-4-carboxamide?
N-[(E)-[5-[(2,3-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]pyridine-4-carboxamide has a molecular weight of 393.26 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-[(2,3-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]pyridine-4-carboxamide is sourced from PubChem (CID 136522661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).