N-(4-fluorophenyl)-2-[(2E)-4-oxo-2-[(E)-(2-phenyl-1H-indol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide

C26H20FN5O2S — CID 135707105

IUPACN-(4-fluorophenyl)-2-[(2E)-4-oxo-2-[(E)-(2-phenyl-1H-indol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(CC1S/C(=N/N=C/c2c(-c3ccccc3)[nH]c3ccccc23)NC1=O)Nc1ccc(F)cc1
InChIInChI=1S/C26H20FN5O2S/c27-17-10-12-18(13-11-17)29-23(33)14-22-25(34)31-26(35-22)32-28-15-20-19-8-4-5-9-21(19)30-24(20)16-6-2-1-3-7-16/h1-13,15,22,30H,14H2,(H,29,33)(H,31,32,34)/b28-15+
InChIKeyMPIKBGHTOMOAFN-RWPZCVJISA-N
MW485.54 g/mol
LogP4.92
Rot. Bonds6

About N-(4-fluorophenyl)-2-[(2E)-4-oxo-2-[(E)-(2-phenyl-1H-indol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide

N-(4-fluorophenyl)-2-[(2E)-4-oxo-2-[(E)-(2-phenyl-1H-indol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135707105) has the molecular formula C26H20FN5O2S and a molecular weight of 485.54 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(2E)-4-oxo-2-[(E)-(2-phenyl-1H-indol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(2E)-4-oxo-2-[(E)-(2-phenyl-1H-indol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
PubChem CID135707105
Molecular FormulaC26H20FN5O2S
Molecular Weight485.54 g/mol
Exact Mass485.13
IUPAC NameN-(4-fluorophenyl)-2-[(2E)-4-oxo-2-[(E)-(2-phenyl-1H-indol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(CC1S/C(=N/N=C/c2c(-c3ccccc3)[nH]c3ccccc23)NC1=O)Nc1ccc(F)cc1
InChIInChI=1S/C26H20FN5O2S/c27-17-10-12-18(13-11-17)29-23(33)14-22-25(34)31-26(35-22)32-28-15-20-19-8-4-5-9-21(19)30-24(20)16-6-2-1-3-7-16/h1-13,15,22,30H,14H2,(H,29,33)(H,31,32,34)/b28-15+
InChIKeyMPIKBGHTOMOAFN-RWPZCVJISA-N
XLogP4.92
TPSA98.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 54.92
H-Bond Donors ≤ 53
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

(2Z)-5-[2-(4-bromophenyl)-2-oxoethyl]-2-[(E)-(2-phenyl-1H-indol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135851288
2-[(2Z,5S)-2-[(Z)-1H-indol-3-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135954566
2-[(2E,5S)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135852015
(2E)-5-[2-(3,4-dimethylphenyl)-2-oxoethyl]-2-[(E)-(2-phenyl-1H-indol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135734155
2-[(2E)-2-(cinnamylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 135588756
(2E)-5-[2-(4-methoxyphenyl)-2-oxoethyl]-2-[(E)-(2-phenyl-1H-indol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135734157
2-[2-[(2-chloro-6-fluorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135418881
2-[(2Z,5R)-2-[(Z)-benzylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 136772072
2-[2-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 137221024
[2-[[(Z)-[5-[2-(4-fluoroanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]phenyl] benzenesulfonate
CID 135845569
(2E)-5-[(4-methylphenyl)methyl]-2-[(E)-(2-phenyl-1H-indol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135711976
2-[(2E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135752308

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(2E)-4-oxo-2-[(E)-(2-phenyl-1H-indol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(2E)-4-oxo-2-[(E)-(2-phenyl-1H-indol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide (CID 135707105) is N-(4-fluorophenyl)-2-[(2E)-4-oxo-2-[(E)-(2-phenyl-1H-indol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(2E)-4-oxo-2-[(E)-(2-phenyl-1H-indol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(2E)-4-oxo-2-[(E)-(2-phenyl-1H-indol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide is O=C(CC1S/C(=N/N=C/c2c(-c3ccccc3)[nH]c3ccccc23)NC1=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[(2E)-4-oxo-2-[(E)-(2-phenyl-1H-indol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is MPIKBGHTOMOAFN-RWPZCVJISA-N. The full InChI is InChI=1S/C26H20FN5O2S/c27-17-10-12-18(13-11-17)29-23(33)14-22-25(34)31-26(35-22)32-28-15-20-19-8-4-5-9-21(19)30-24(20)16-6-2-1-3-7-16/h1-13,15,22,30H,14H2,(H,29,33)(H,31,32,34)/b28-15+.
What are the key properties of N-(4-fluorophenyl)-2-[(2E)-4-oxo-2-[(E)-(2-phenyl-1H-indol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?
N-(4-fluorophenyl)-2-[(2E)-4-oxo-2-[(E)-(2-phenyl-1H-indol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 485.54 g/mol, XLogP of 4.92, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(2E)-4-oxo-2-[(E)-(2-phenyl-1H-indol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135707105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).