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

C10H6ClN3O3S — CID 154792135

IUPAC(5Z)-5-[(2-chloro-5-nitrophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\NC(=O)/C(=C/c2cc([N+](=O)[O-])ccc2Cl)S1
InChIInChI=1S/C10H6ClN3O3S/c11-7-2-1-6(14(16)17)3-5(7)4-8-9(15)13-10(12)18-8/h1-4H,(H2,12,13,15)/b8-4-
InChIKeySJLXFQXYCVYKEF-YWEYNIOJSA-N
MW283.70 g/mol
LogP2.39
Rot. Bonds2

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

(5Z)-5-[(2-chloro-5-nitrophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one (PubChem CID 154792135) has the molecular formula C10H6ClN3O3S and a molecular weight of 283.70 g/mol. Its IUPAC name is (5Z)-5-[(2-chloro-5-nitrophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(2-chloro-5-nitrophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
PubChem CID154792135
Molecular FormulaC10H6ClN3O3S
Molecular Weight283.70 g/mol
Exact Mass282.98
IUPAC Name(5Z)-5-[(2-chloro-5-nitrophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\NC(=O)/C(=C/c2cc([N+](=O)[O-])ccc2Cl)S1
InChIInChI=1S/C10H6ClN3O3S/c11-7-2-1-6(14(16)17)3-5(7)4-8-9(15)13-10(12)18-8/h1-4H,(H2,12,13,15)/b8-4-
InChIKeySJLXFQXYCVYKEF-YWEYNIOJSA-N
XLogP2.39
TPSA96.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.70
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_D(8)', 'substructure': 'N/A'}, {'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)-5-[(2-chloro-5-nitrophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(2-chloro-5-nitrophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one (CID 154792135) is (5Z)-5-[(2-chloro-5-nitrophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(2-chloro-5-nitrophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(2-chloro-5-nitrophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one is [H]/N=C1\NC(=O)/C(=C/c2cc([N+](=O)[O-])ccc2Cl)S1.
What is the InChIKey of (5Z)-5-[(2-chloro-5-nitrophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one?
The InChIKey is SJLXFQXYCVYKEF-YWEYNIOJSA-N. The full InChI is InChI=1S/C10H6ClN3O3S/c11-7-2-1-6(14(16)17)3-5(7)4-8-9(15)13-10(12)18-8/h1-4H,(H2,12,13,15)/b8-4-.
What are the key properties of (5Z)-5-[(2-chloro-5-nitrophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one?
(5Z)-5-[(2-chloro-5-nitrophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one has a molecular weight of 283.70 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-chloro-5-nitrophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 154792135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).