(5E)-2-(2-chlorophenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one

C17H13ClN2O2S — CID 135529544

IUPAC(5E)-2-(2-chlorophenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccccc1/C=C1/S/C(=N\c2ccccc2Cl)NC1=O
InChIInChI=1S/C17H13ClN2O2S/c1-22-14-9-5-2-6-11(14)10-15-16(21)20-17(23-15)19-13-8-4-3-7-12(13)18/h2-10H,1H3,(H,19,20,21)/b15-10+
InChIKeyKFHPWPVHEFLMIH-XNTDXEJSSA-N
MW344.82 g/mol
LogP4.24
Rot. Bonds3

About (5E)-2-(2-chlorophenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one

(5E)-2-(2-chlorophenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135529544) has the molecular formula C17H13ClN2O2S and a molecular weight of 344.82 g/mol. Its IUPAC name is (5E)-2-(2-chlorophenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-(2-chlorophenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135529544
Molecular FormulaC17H13ClN2O2S
Molecular Weight344.82 g/mol
Exact Mass344.04
IUPAC Name(5E)-2-(2-chlorophenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccccc1/C=C1/S/C(=N\c2ccccc2Cl)NC1=O
InChIInChI=1S/C17H13ClN2O2S/c1-22-14-9-5-2-6-11(14)10-15-16(21)20-17(23-15)19-13-8-4-3-7-12(13)18/h2-10H,1H3,(H,19,20,21)/b15-10+
InChIKeyKFHPWPVHEFLMIH-XNTDXEJSSA-N
XLogP4.24
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-2-(2-chlorophenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-(2-chlorophenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 135529544) is (5E)-2-(2-chlorophenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-(2-chlorophenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-(2-chlorophenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one is COc1ccccc1/C=C1/S/C(=N\c2ccccc2Cl)NC1=O.
What is the InChIKey of (5E)-2-(2-chlorophenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is KFHPWPVHEFLMIH-XNTDXEJSSA-N. The full InChI is InChI=1S/C17H13ClN2O2S/c1-22-14-9-5-2-6-11(14)10-15-16(21)20-17(23-15)19-13-8-4-3-7-12(13)18/h2-10H,1H3,(H,19,20,21)/b15-10+.
What are the key properties of (5E)-2-(2-chlorophenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
(5E)-2-(2-chlorophenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 344.82 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-(2-chlorophenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135529544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).