(2E)-5-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one

C15H11Cl2N3OS — CID 135675530

IUPAC(2E)-5-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccn2)SC1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2N3OS/c16-10-5-4-9(7-11(10)17)8-12-14(21)20-15(22-12)19-13-3-1-2-6-18-13/h1-7,12H,8H2,(H,18,19,20,21)
InChIKeyCMWNAQQAYNOKHR-UHFFFAOYSA-N
MW352.25 g/mol
LogP3.85
Rot. Bonds3

About (2E)-5-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one

(2E)-5-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one (PubChem CID 135675530) has the molecular formula C15H11Cl2N3OS and a molecular weight of 352.25 g/mol. Its IUPAC name is (2E)-5-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-5-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
PubChem CID135675530
Molecular FormulaC15H11Cl2N3OS
Molecular Weight352.25 g/mol
Exact Mass351.00
IUPAC Name(2E)-5-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccn2)SC1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2N3OS/c16-10-5-4-9(7-11(10)17)8-12-14(21)20-15(22-12)19-13-3-1-2-6-18-13/h1-7,12H,8H2,(H,18,19,20,21)
InChIKeyCMWNAQQAYNOKHR-UHFFFAOYSA-N
XLogP3.85
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-5-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-5-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one (CID 135675530) is (2E)-5-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-5-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-5-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccccn2)SC1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2E)-5-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The InChIKey is CMWNAQQAYNOKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3OS/c16-10-5-4-9(7-11(10)17)8-12-14(21)20-15(22-12)19-13-3-1-2-6-18-13/h1-7,12H,8H2,(H,18,19,20,21).
What are the key properties of (2E)-5-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
(2E)-5-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one has a molecular weight of 352.25 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135675530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).