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

C20H19FN4O4S — CID 135460514

IUPACN-(2-fluorophenyl)-2-[3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESC/N=C1\SC(CC(=O)Nc2ccccc2F)C(=O)N1/N=C/c1ccc(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-KXYWVBGFSA-N
MW430.46 g/mol
LogP2.83
Rot. Bonds6

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

N-(2-fluorophenyl)-2-[3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135460514) has the molecular formula C20H19FN4O4S and a molecular weight of 430.46 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID135460514
Molecular FormulaC20H19FN4O4S
Molecular Weight430.46 g/mol
Exact Mass430.11
IUPAC NameN-(2-fluorophenyl)-2-[3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESC/N=C1\SC(CC(=O)Nc2ccccc2F)C(=O)N1/N=C/c1ccc(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-KXYWVBGFSA-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'}

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Related Compounds

[2-[(3,4-Dimethoxy-benzylidene)-hydrazono]-3-(4-hydroxy-phenyl)-4-oxo-thiazolidin-5-yl]-acetic acid
CID 5804870
N-(2,4-Difluorophenyl)-2-[2-methylimino-4-oxo-3-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]-1,3-thiazolidin-5-yl]acetamide
CID 9684091
2-[3-[(E)-N-[5-[2-(2,4-difluoroanilino)-2-oxoethyl]-2-methylimino-4-oxo-1,3-thiazolidin-3-yl]-C-methylcarbonimidoyl]phenoxy]acetic acid
CID 9684108
N-(2,4-difluorophenyl)-2-[3-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 9684123
2-({2-[2-(2-hydroxy-3-methoxybenzylidene)hydrazino]-2-oxoethyl}thio)-N-phenylacetamide
CID 135438761
3-{N'-[(E)-(4-Hydroxy-3-methoxyphenyl)methylidene]hydrazinecarbonyl}-N-(4-methylphenyl)propanamide
CID 135439767
2-[2-[(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135496476
2-[3-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4-difluorophenyl)acetamide
CID 9684129
4-Hydroxy-3-methoxybenzaldehyde [3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazone
CID 135438890
[2-[(4-Hydroxy-3-methoxybenzylidene)hydrazono]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135501776
N-(4-Fluorophenyl)-3-{N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinecarbonyl}propanamide
CID 135678705
N-(3,4-dichlorophenyl)-2-[(2Z)-4-hydroxy-2-[(E)-(4-hydroxy-3-methoxy-phenyl)methylenehydrazono]-5H-thiazol-5-yl]acetamide
CID 135422601

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 135460514) is N-(2-fluorophenyl)-2-[3-[(E)-(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-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[3-[(E)-(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)N1/N=C/c1ccc(O)c(OC)c1.
What is the InChIKey of N-(2-fluorophenyl)-2-[3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is AYDHTSYTLFUMCN-KXYWVBGFSA-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-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(2-fluorophenyl)-2-[3-[(E)-(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-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135460514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).