5-(3,5-difluorophenyl)-2-hydroxy-N-[(E)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide

C17H13F2N3O3S — CID 15956002

IUPAC5-(3,5-difluorophenyl)-2-hydroxy-N-[(E)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide
SMILESCN1C(=O)CS/C1=N/NC(=O)c1cc(-c2cc(F)cc(F)c2)ccc1O
InChIInChI=1S/C17H13F2N3O3S/c1-22-15(24)8-26-17(22)21-20-16(25)13-6-9(2-3-14(13)23)10-4-11(18)7-12(19)5-10/h2-7,23H,8H2,1H3,(H,20,25)/b21-17+
InChIKeyWFYZTNBHAIFEPU-HEHNFIMWSA-N
MW377.37 g/mol
LogP2.54
Rot. Bonds3

About 5-(3,5-difluorophenyl)-2-hydroxy-N-[(E)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide

5-(3,5-difluorophenyl)-2-hydroxy-N-[(E)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide (PubChem CID 15956002) has the molecular formula C17H13F2N3O3S and a molecular weight of 377.37 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-2-hydroxy-N-[(E)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)-2-hydroxy-N-[(E)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide
PubChem CID15956002
Molecular FormulaC17H13F2N3O3S
Molecular Weight377.37 g/mol
Exact Mass377.06
IUPAC Name5-(3,5-difluorophenyl)-2-hydroxy-N-[(E)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide
SMILESCN1C(=O)CS/C1=N/NC(=O)c1cc(-c2cc(F)cc(F)c2)ccc1O
InChIInChI=1S/C17H13F2N3O3S/c1-22-15(24)8-26-17(22)21-20-16(25)13-6-9(2-3-14(13)23)10-4-11(18)7-12(19)5-10/h2-7,23H,8H2,1H3,(H,20,25)/b21-17+
InChIKeyWFYZTNBHAIFEPU-HEHNFIMWSA-N
XLogP2.54
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(2,4-difluorophenyl)-2-hydroxy-N-[(E)-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide
CID 11648456
1-cyclohexyl-3-[[5-(3,5-difluorophenyl)-2-hydroxybenzoyl]amino]thiourea
CID 15955994
4-(5-fluoro-2-hydroxybenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102889204
5-bromo-2-hydroxy-N-[(1-methylpiperidin-4-ylidene)amino]benzamide
CID 840820
2-hydroxy-N-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide
CID 135399110
5-(2,4-difluorophenyl)-2-hydroxy-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
CID 86304886
5-chloro-2-hydroxy-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]benzamide
CID 869893
(2E)-3-methyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 10560945
CID 123466513
CID 123466513
5-(4-fluorophenyl)-2-hydroxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide
CID 167922139
5-fluoro-2-hydroxy-N-(1-methylcyclopropyl)benzamide
CID 115883770
4-(3,5-difluorophenyl)-2-fluorobenzoic acid
CID 53211091

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)-2-hydroxy-N-[(E)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide?
The IUPAC name of 5-(3,5-difluorophenyl)-2-hydroxy-N-[(E)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide (CID 15956002) is 5-(3,5-difluorophenyl)-2-hydroxy-N-[(E)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide.
What is the SMILES notation for 5-(3,5-difluorophenyl)-2-hydroxy-N-[(E)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide?
The canonical SMILES for 5-(3,5-difluorophenyl)-2-hydroxy-N-[(E)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide is CN1C(=O)CS/C1=N/NC(=O)c1cc(-c2cc(F)cc(F)c2)ccc1O.
What is the InChIKey of 5-(3,5-difluorophenyl)-2-hydroxy-N-[(E)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide?
The InChIKey is WFYZTNBHAIFEPU-HEHNFIMWSA-N. The full InChI is InChI=1S/C17H13F2N3O3S/c1-22-15(24)8-26-17(22)21-20-16(25)13-6-9(2-3-14(13)23)10-4-11(18)7-12(19)5-10/h2-7,23H,8H2,1H3,(H,20,25)/b21-17+.
What are the key properties of 5-(3,5-difluorophenyl)-2-hydroxy-N-[(E)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide?
5-(3,5-difluorophenyl)-2-hydroxy-N-[(E)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide has a molecular weight of 377.37 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenyl)-2-hydroxy-N-[(E)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide is sourced from PubChem (CID 15956002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).