2-[(5Z)-2,4-dioxo-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-hydroxyacetamide

C18H14N2O4S — CID 44586145

IUPAC2-[(5Z)-2,4-dioxo-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-hydroxyacetamide
SMILESO=C(CN1C(=O)S/C(=C\c2ccc(-c3ccccc3)cc2)C1=O)NO
InChIInChI=1S/C18H14N2O4S/c21-16(19-24)11-20-17(22)15(25-18(20)23)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-10,24H,11H2,(H,19,21)/b15-10-
InChIKeyBPHXIOZIZYLRJA-GDNBJRDFSA-N
MW354.39 g/mol
LogP2.90
Rot. Bonds4

About 2-[(5Z)-2,4-dioxo-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-hydroxyacetamide

2-[(5Z)-2,4-dioxo-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-hydroxyacetamide (PubChem CID 44586145) has the molecular formula C18H14N2O4S and a molecular weight of 354.39 g/mol. Its IUPAC name is 2-[(5Z)-2,4-dioxo-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[(5Z)-2,4-dioxo-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-hydroxyacetamide
PubChem CID44586145
Molecular FormulaC18H14N2O4S
Molecular Weight354.39 g/mol
Exact Mass354.07
IUPAC Name2-[(5Z)-2,4-dioxo-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-hydroxyacetamide
SMILESO=C(CN1C(=O)S/C(=C\c2ccc(-c3ccccc3)cc2)C1=O)NO
InChIInChI=1S/C18H14N2O4S/c21-16(19-24)11-20-17(22)15(25-18(20)23)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-10,24H,11H2,(H,19,21)/b15-10-
InChIKeyBPHXIOZIZYLRJA-GDNBJRDFSA-N
XLogP2.90
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5Z)-2,4-dioxo-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-hydroxyacetamide?
The IUPAC name of 2-[(5Z)-2,4-dioxo-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-hydroxyacetamide (CID 44586145) is 2-[(5Z)-2,4-dioxo-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-hydroxyacetamide.
What is the SMILES notation for 2-[(5Z)-2,4-dioxo-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-hydroxyacetamide?
The canonical SMILES for 2-[(5Z)-2,4-dioxo-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-hydroxyacetamide is O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccccc3)cc2)C1=O)NO.
What is the InChIKey of 2-[(5Z)-2,4-dioxo-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-hydroxyacetamide?
The InChIKey is BPHXIOZIZYLRJA-GDNBJRDFSA-N. The full InChI is InChI=1S/C18H14N2O4S/c21-16(19-24)11-20-17(22)15(25-18(20)23)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-10,24H,11H2,(H,19,21)/b15-10-.
What are the key properties of 2-[(5Z)-2,4-dioxo-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-hydroxyacetamide?
2-[(5Z)-2,4-dioxo-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-hydroxyacetamide has a molecular weight of 354.39 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z)-2,4-dioxo-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-hydroxyacetamide is sourced from PubChem (CID 44586145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).