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

C17H13ClN2OS — CID 135537879

IUPAC(5Z)-5-[(2-chlorophenyl)methylidene]-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one
SMILESCc1ccc(/N=C2\NC(=O)S\C2=C/c2ccccc2Cl)cc1
InChIInChI=1S/C17H13ClN2OS/c1-11-6-8-13(9-7-11)19-16-15(22-17(21)20-16)10-12-4-2-3-5-14(12)18/h2-10H,1H3,(H,19,20,21)/b15-10-
InChIKeyMUCJXSBTDQWGHQ-GDNBJRDFSA-N
MW328.82 g/mol
LogP5.18
Rot. Bonds2

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

(5Z)-5-[(2-chlorophenyl)methylidene]-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one (PubChem CID 135537879) has the molecular formula C17H13ClN2OS and a molecular weight of 328.82 g/mol. Its IUPAC name is (5Z)-5-[(2-chlorophenyl)methylidene]-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(5Z)-5-[(2-chlorophenyl)methylidene]-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one
PubChem CID135537879
Molecular FormulaC17H13ClN2OS
Molecular Weight328.82 g/mol
Exact Mass328.04
IUPAC Name(5Z)-5-[(2-chlorophenyl)methylidene]-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one
SMILESCc1ccc(/N=C2\NC(=O)S\C2=C/c2ccccc2Cl)cc1
InChIInChI=1S/C17H13ClN2OS/c1-11-6-8-13(9-7-11)19-16-15(22-17(21)20-16)10-12-4-2-3-5-14(12)18/h2-10H,1H3,(H,19,20,21)/b15-10-
InChIKeyMUCJXSBTDQWGHQ-GDNBJRDFSA-N
XLogP5.18
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.82
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-chlorophenyl)methylidene]-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one?
The IUPAC name of (5Z)-5-[(2-chlorophenyl)methylidene]-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one (CID 135537879) is (5Z)-5-[(2-chlorophenyl)methylidene]-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one.
What is the SMILES notation for (5Z)-5-[(2-chlorophenyl)methylidene]-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one?
The canonical SMILES for (5Z)-5-[(2-chlorophenyl)methylidene]-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one is Cc1ccc(/N=C2\NC(=O)S\C2=C/c2ccccc2Cl)cc1.
What is the InChIKey of (5Z)-5-[(2-chlorophenyl)methylidene]-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one?
The InChIKey is MUCJXSBTDQWGHQ-GDNBJRDFSA-N. The full InChI is InChI=1S/C17H13ClN2OS/c1-11-6-8-13(9-7-11)19-16-15(22-17(21)20-16)10-12-4-2-3-5-14(12)18/h2-10H,1H3,(H,19,20,21)/b15-10-.
What are the key properties of (5Z)-5-[(2-chlorophenyl)methylidene]-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one?
(5Z)-5-[(2-chlorophenyl)methylidene]-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one has a molecular weight of 328.82 g/mol, XLogP of 5.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-chlorophenyl)methylidene]-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one is sourced from PubChem (CID 135537879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).