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

C18H15IN2O4S — CID 126355165

IUPACN-(2,5-dimethylphenyl)-2-[(5Z)-5-[(5-iodofuran-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
SMILESCc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccc(I)o3)C2=O)c1
InChIInChI=1S/C18H15IN2O4S/c1-10-3-4-11(2)13(7-10)20-16(22)9-21-17(23)14(26-18(21)24)8-12-5-6-15(19)25-12/h3-8H,9H2,1-2H3,(H,20,22)/b14-8-
InChIKeyQHVORUSXJUHPDN-ZSOIEALJSA-N
MW482.30 g/mol
LogP4.18
Rot. Bonds4

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

N-(2,5-dimethylphenyl)-2-[(5Z)-5-[(5-iodofuran-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide (PubChem CID 126355165) has the molecular formula C18H15IN2O4S and a molecular weight of 482.30 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[(5Z)-5-[(5-iodofuran-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[(5Z)-5-[(5-iodofuran-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
PubChem CID126355165
Molecular FormulaC18H15IN2O4S
Molecular Weight482.30 g/mol
Exact Mass481.98
IUPAC NameN-(2,5-dimethylphenyl)-2-[(5Z)-5-[(5-iodofuran-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
SMILESCc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccc(I)o3)C2=O)c1
InChIInChI=1S/C18H15IN2O4S/c1-10-3-4-11(2)13(7-10)20-16(22)9-21-17(23)14(26-18(21)24)8-12-5-6-15(19)25-12/h3-8H,9H2,1-2H3,(H,20,22)/b14-8-
InChIKeyQHVORUSXJUHPDN-ZSOIEALJSA-N
XLogP4.18
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.30
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

2-[(5E)-5-(anthracen-9-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2,5-dimethylphenyl)acetamide
CID 126364149
N-(2,4-dimethylphenyl)-2-[(5Z)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126020113
2-[(5E)-5-[(2,5-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2,5-dimethylphenyl)acetamide
CID 126356712
N-(2,5-dimethylphenyl)-2-[(5Z)-2,4-dioxo-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide
CID 126336085
N-(2,4-dimethylphenyl)-2-[5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 3976609
N-(2,5-dimethylphenyl)-2-[(5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126364230
2-[5-[(Z)-[3-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
CID 126214889
2-[5-[(Z)-[3-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
CID 126220559
N-(2,3-dimethylphenyl)-2-[(5E)-5-[[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126360059
2-[(5Z)-5-[(3-bromo-4-ethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2,5-dimethylphenyl)acetamide
CID 126349591
3-[5-[(E)-[3-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
CID 126224001
N-(2,5-dimethylphenyl)-2-[(5E)-5-[(3-ethoxy-5-iodo-4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126279535

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[(5Z)-5-[(5-iodofuran-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[(5Z)-5-[(5-iodofuran-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide (CID 126355165) is N-(2,5-dimethylphenyl)-2-[(5Z)-5-[(5-iodofuran-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[(5Z)-5-[(5-iodofuran-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[(5Z)-5-[(5-iodofuran-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide is Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccc(I)o3)C2=O)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[(5Z)-5-[(5-iodofuran-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
The InChIKey is QHVORUSXJUHPDN-ZSOIEALJSA-N. The full InChI is InChI=1S/C18H15IN2O4S/c1-10-3-4-11(2)13(7-10)20-16(22)9-21-17(23)14(26-18(21)24)8-12-5-6-15(19)25-12/h3-8H,9H2,1-2H3,(H,20,22)/b14-8-.
What are the key properties of N-(2,5-dimethylphenyl)-2-[(5Z)-5-[(5-iodofuran-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
N-(2,5-dimethylphenyl)-2-[(5Z)-5-[(5-iodofuran-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide has a molecular weight of 482.30 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[(5Z)-5-[(5-iodofuran-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide is sourced from PubChem (CID 126355165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).