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

C18H14N2O3S — CID 44586138

IUPAC2-[(5Z)-2,4-dioxo-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide
SMILESNC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccccc3)cc2)C1=O
InChIInChI=1S/C18H14N2O3S/c19-16(21)11-20-17(22)15(24-18(20)23)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-10H,11H2,(H2,19,21)/b15-10-
InChIKeyDPEPNFKUUACENZ-GDNBJRDFSA-N
MW338.39 g/mol
LogP2.88
Rot. Bonds4

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

2-[(5Z)-2,4-dioxo-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide (PubChem CID 44586138) has the molecular formula C18H14N2O3S and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-[(5Z)-2,4-dioxo-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(5Z)-2,4-dioxo-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide
PubChem CID44586138
Molecular FormulaC18H14N2O3S
Molecular Weight338.39 g/mol
Exact Mass338.07
IUPAC Name2-[(5Z)-2,4-dioxo-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide
SMILESNC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccccc3)cc2)C1=O
InChIInChI=1S/C18H14N2O3S/c19-16(21)11-20-17(22)15(24-18(20)23)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-10H,11H2,(H2,19,21)/b15-10-
InChIKeyDPEPNFKUUACENZ-GDNBJRDFSA-N
XLogP2.88
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', '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]acetamide?
The IUPAC name of 2-[(5Z)-2,4-dioxo-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide (CID 44586138) is 2-[(5Z)-2,4-dioxo-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide.
What is the SMILES notation for 2-[(5Z)-2,4-dioxo-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide?
The canonical SMILES for 2-[(5Z)-2,4-dioxo-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide is NC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccccc3)cc2)C1=O.
What is the InChIKey of 2-[(5Z)-2,4-dioxo-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide?
The InChIKey is DPEPNFKUUACENZ-GDNBJRDFSA-N. The full InChI is InChI=1S/C18H14N2O3S/c19-16(21)11-20-17(22)15(24-18(20)23)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-10H,11H2,(H2,19,21)/b15-10-.
What are the key properties of 2-[(5Z)-2,4-dioxo-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide?
2-[(5Z)-2,4-dioxo-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide has a molecular weight of 338.39 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 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]acetamide is sourced from PubChem (CID 44586138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).