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

C16H10ClN3O3S — CID 135512886

IUPAC(5Z)-2-(2-chlorophenyl)imino-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccc2Cl)S/C1=C\c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H10ClN3O3S/c17-12-6-1-2-7-13(12)18-16-19-15(21)14(24-16)9-10-4-3-5-11(8-10)20(22)23/h1-9H,(H,18,19,21)/b14-9-
InChIKeyLKLJQQGAAVKYNB-ZROIWOOFSA-N
MW359.79 g/mol
LogP4.14
Rot. Bonds3

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

(5Z)-2-(2-chlorophenyl)imino-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135512886) has the molecular formula C16H10ClN3O3S and a molecular weight of 359.79 g/mol. Its IUPAC name is (5Z)-2-(2-chlorophenyl)imino-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(2-chlorophenyl)imino-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135512886
Molecular FormulaC16H10ClN3O3S
Molecular Weight359.79 g/mol
Exact Mass359.01
IUPAC Name(5Z)-2-(2-chlorophenyl)imino-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccc2Cl)S/C1=C\c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H10ClN3O3S/c17-12-6-1-2-7-13(12)18-16-19-15(21)14(24-16)9-10-4-3-5-11(8-10)20(22)23/h1-9H,(H,18,19,21)/b14-9-
InChIKeyLKLJQQGAAVKYNB-ZROIWOOFSA-N
XLogP4.14
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(2-chlorophenyl)imino-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(2-chlorophenyl)imino-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one (CID 135512886) is (5Z)-2-(2-chlorophenyl)imino-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(2-chlorophenyl)imino-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(2-chlorophenyl)imino-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccccc2Cl)S/C1=C\c1cccc([N+](=O)[O-])c1.
What is the InChIKey of (5Z)-2-(2-chlorophenyl)imino-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is LKLJQQGAAVKYNB-ZROIWOOFSA-N. The full InChI is InChI=1S/C16H10ClN3O3S/c17-12-6-1-2-7-13(12)18-16-19-15(21)14(24-16)9-10-4-3-5-11(8-10)20(22)23/h1-9H,(H,18,19,21)/b14-9-.
What are the key properties of (5Z)-2-(2-chlorophenyl)imino-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-(2-chlorophenyl)imino-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 359.79 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(2-chlorophenyl)imino-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135512886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).