N-(2-fluorophenyl)-2-[3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide

C20H19FN4O4S — CID 4831443

IUPACN-(2-fluorophenyl)-2-[3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESC/N=C1\SC(CC(=O)Nc2ccccc2F)C(=O)N1N=Cc1ccc(O)c(OC)c1
InChIInChI=1S/C20H19FN4O4S/c1-22-20-25(23-11-12-7-8-15(26)16(9-12)29-2)19(28)17(30-20)10-18(27)24-14-6-4-3-5-13(14)21/h3-9,11,17,26H,10H2,1-2H3,(H,24,27)/b22-20-,23-11?
InChIKeyAYDHTSYTLFUMCN-LEQNMTDOSA-N
MW430.46 g/mol
LogP2.83
Rot. Bonds6

About N-(2-fluorophenyl)-2-[3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(2-fluorophenyl)-2-[3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 4831443) has the molecular formula C20H19FN4O4S and a molecular weight of 430.46 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID4831443
Molecular FormulaC20H19FN4O4S
Molecular Weight430.46 g/mol
Exact Mass430.11
IUPAC NameN-(2-fluorophenyl)-2-[3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESC/N=C1\SC(CC(=O)Nc2ccccc2F)C(=O)N1N=Cc1ccc(O)c(OC)c1
InChIInChI=1S/C20H19FN4O4S/c1-22-20-25(23-11-12-7-8-15(26)16(9-12)29-2)19(28)17(30-20)10-18(27)24-14-6-4-3-5-13(14)21/h3-9,11,17,26H,10H2,1-2H3,(H,24,27)/b22-20-,23-11?
InChIKeyAYDHTSYTLFUMCN-LEQNMTDOSA-N
XLogP2.83
TPSA103.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(2-fluorophenyl)-2-[3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 4831443) is N-(2-fluorophenyl)-2-[3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide is C/N=C1\SC(CC(=O)Nc2ccccc2F)C(=O)N1N=Cc1ccc(O)c(OC)c1.
What is the InChIKey of N-(2-fluorophenyl)-2-[3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is AYDHTSYTLFUMCN-LEQNMTDOSA-N. The full InChI is InChI=1S/C20H19FN4O4S/c1-22-20-25(23-11-12-7-8-15(26)16(9-12)29-2)19(28)17(30-20)10-18(27)24-14-6-4-3-5-13(14)21/h3-9,11,17,26H,10H2,1-2H3,(H,24,27)/b22-20-,23-11?.
What are the key properties of N-(2-fluorophenyl)-2-[3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(2-fluorophenyl)-2-[3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 430.46 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 4831443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).