(5E)-2-[(3-chloro-4-pyridinyl)imino]-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-phenyl-1,3-thiazolidin-4-one

C21H14ClN3O2S — CID 18844027

About (5E)-2-[(3-chloro-4-pyridinyl)imino]-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-phenyl-1,3-thiazolidin-4-one

(5E)-2-[(3-chloro-4-pyridinyl)imino]-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 18844027) has the molecular formula C21H14ClN3O2S and a molecular weight of 407.88 g/mol. Its IUPAC name is (5E)-2-[(3-chloro-4-pyridinyl)imino]-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5E)-2-[(3-chloro-4-pyridinyl)imino]-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-phenyl-1,3-thiazolidin-4-one
• PubChem CID: 18844027
• Molecular Formula: C21H14ClN3O2S
• Molecular Weight: 407.88 g/mol
• Exact Mass: 407.05
• IUPAC Name: (5E)-2-[(3-chloro-4-pyridinyl)imino]-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-phenyl-1,3-thiazolidin-4-one
• SMILES: O=C1/C(=C\C=C\c2ccco2)S/C(=N\c2ccncc2Cl)N1c1ccccc1
• InChI: InChI=1S/C21H14ClN3O2S/c22-17-14-23-12-11-18(17)24-21-25(15-6-2-1-3-7-15)20(26)19(28-21)10-4-8-16-9-5-13-27-16/h1-14H/b8-4+,19-10+,24-21-
• InChIKey: NWEZRZGGJVXNIQ-QZGFFMBSSA-N
• XLogP: 5.69
• TPSA: 58.70 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	407.88
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'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-[(3-chloro-4-pyridinyl)imino]-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-phenyl-1,3-thiazolidin-4-one?

The IUPAC name of (5E)-2-[(3-chloro-4-pyridinyl)imino]-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-phenyl-1,3-thiazolidin-4-one (CID 18844027) is (5E)-2-[(3-chloro-4-pyridinyl)imino]-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-phenyl-1,3-thiazolidin-4-one.

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

The canonical SMILES for (5E)-2-[(3-chloro-4-pyridinyl)imino]-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-phenyl-1,3-thiazolidin-4-one is O=C1/C(=C\C=C\c2ccco2)S/C(=N\c2ccncc2Cl)N1c1ccccc1.

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

The InChIKey is NWEZRZGGJVXNIQ-QZGFFMBSSA-N. The full InChI is InChI=1S/C21H14ClN3O2S/c22-17-14-23-12-11-18(17)24-21-25(15-6-2-1-3-7-15)20(26)19(28-21)10-4-8-16-9-5-13-27-16/h1-14H/b8-4+,19-10+,24-21-.

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

(5E)-2-[(3-chloro-4-pyridinyl)imino]-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 407.88 g/mol, XLogP of 5.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5E)-2-[(3-chloro-4-pyridinyl)imino]-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 18844027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).