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

C15H12ClN3OS — CID 135635832

IUPAC(2E)-5-[(2-chlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccn2)SC1Cc1ccccc1Cl
InChIInChI=1S/C15H12ClN3OS/c16-11-6-2-1-5-10(11)9-12-14(20)19-15(21-12)18-13-7-3-4-8-17-13/h1-8,12H,9H2,(H,17,18,19,20)
InChIKeyMGMLJWRFAOCMIV-UHFFFAOYSA-N
MW317.80 g/mol
LogP3.20
Rot. Bonds3

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

(2E)-5-[(2-chlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one (PubChem CID 135635832) has the molecular formula C15H12ClN3OS and a molecular weight of 317.80 g/mol. Its IUPAC name is (2E)-5-[(2-chlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-5-[(2-chlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
PubChem CID135635832
Molecular FormulaC15H12ClN3OS
Molecular Weight317.80 g/mol
Exact Mass317.04
IUPAC Name(2E)-5-[(2-chlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccn2)SC1Cc1ccccc1Cl
InChIInChI=1S/C15H12ClN3OS/c16-11-6-2-1-5-10(11)9-12-14(20)19-15(21-12)18-13-7-3-4-8-17-13/h1-8,12H,9H2,(H,17,18,19,20)
InChIKeyMGMLJWRFAOCMIV-UHFFFAOYSA-N
XLogP3.20
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 53.20
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-[(2-chlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-5-[(2-chlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one (CID 135635832) is (2E)-5-[(2-chlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-5-[(2-chlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-5-[(2-chlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccccn2)SC1Cc1ccccc1Cl.
What is the InChIKey of (2E)-5-[(2-chlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The InChIKey is MGMLJWRFAOCMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3OS/c16-11-6-2-1-5-10(11)9-12-14(20)19-15(21-12)18-13-7-3-4-8-17-13/h1-8,12H,9H2,(H,17,18,19,20).
What are the key properties of (2E)-5-[(2-chlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
(2E)-5-[(2-chlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one has a molecular weight of 317.80 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-[(2-chlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135635832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).