(5E)-2-[(2-chloro-3-pyridinyl)imino]-5-(furan-2-ylmethylidene)-3-methyl-1,3-thiazolidin-4-one

C14H10ClN3O2S — CID 18843200

About (5E)-2-[(2-chloro-3-pyridinyl)imino]-5-(furan-2-ylmethylidene)-3-methyl-1,3-thiazolidin-4-one

(5E)-2-[(2-chloro-3-pyridinyl)imino]-5-(furan-2-ylmethylidene)-3-methyl-1,3-thiazolidin-4-one (PubChem CID 18843200) has the molecular formula C14H10ClN3O2S and a molecular weight of 319.77 g/mol. Its IUPAC name is (5E)-2-[(2-chloro-3-pyridinyl)imino]-5-(furan-2-ylmethylidene)-3-methyl-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5E)-2-[(2-chloro-3-pyridinyl)imino]-5-(furan-2-ylmethylidene)-3-methyl-1,3-thiazolidin-4-one
• PubChem CID: 18843200
• Molecular Formula: C14H10ClN3O2S
• Molecular Weight: 319.77 g/mol
• Exact Mass: 319.02
• IUPAC Name: (5E)-2-[(2-chloro-3-pyridinyl)imino]-5-(furan-2-ylmethylidene)-3-methyl-1,3-thiazolidin-4-one
• SMILES: CN1C(=O)/C(=C\c2ccco2)S/C1=N/c1cccnc1Cl
• InChI: InChI=1S/C14H10ClN3O2S/c1-18-13(19)11(8-9-4-3-7-20-9)21-14(18)17-10-5-2-6-16-12(10)15/h2-8H,1H3/b11-8+,17-14+
• InChIKey: FRRZSTTUPVGQRL-LDRANXPESA-N
• XLogP: 3.56
• TPSA: 58.70 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	319.77
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5E)-2-[(2-chloro-3-pyridinyl)imino]-5-(furan-2-ylmethylidene)-3-methyl-1,3-thiazolidin-4-one?

The IUPAC name of (5E)-2-[(2-chloro-3-pyridinyl)imino]-5-(furan-2-ylmethylidene)-3-methyl-1,3-thiazolidin-4-one (CID 18843200) is (5E)-2-[(2-chloro-3-pyridinyl)imino]-5-(furan-2-ylmethylidene)-3-methyl-1,3-thiazolidin-4-one.

What is the SMILES notation for (5E)-2-[(2-chloro-3-pyridinyl)imino]-5-(furan-2-ylmethylidene)-3-methyl-1,3-thiazolidin-4-one?

The canonical SMILES for (5E)-2-[(2-chloro-3-pyridinyl)imino]-5-(furan-2-ylmethylidene)-3-methyl-1,3-thiazolidin-4-one is CN1C(=O)/C(=C\c2ccco2)S/C1=N/c1cccnc1Cl.

What is the InChIKey of (5E)-2-[(2-chloro-3-pyridinyl)imino]-5-(furan-2-ylmethylidene)-3-methyl-1,3-thiazolidin-4-one?

The InChIKey is FRRZSTTUPVGQRL-LDRANXPESA-N. The full InChI is InChI=1S/C14H10ClN3O2S/c1-18-13(19)11(8-9-4-3-7-20-9)21-14(18)17-10-5-2-6-16-12(10)15/h2-8H,1H3/b11-8+,17-14+.

What are the key properties of (5E)-2-[(2-chloro-3-pyridinyl)imino]-5-(furan-2-ylmethylidene)-3-methyl-1,3-thiazolidin-4-one?

(5E)-2-[(2-chloro-3-pyridinyl)imino]-5-(furan-2-ylmethylidene)-3-methyl-1,3-thiazolidin-4-one has a molecular weight of 319.77 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5E)-2-[(2-chloro-3-pyridinyl)imino]-5-(furan-2-ylmethylidene)-3-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 18843200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).