2-[3-(4-hydroxyphenyl)-4-oxo-2-[(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide

C25H19N5O4S — CID 135463328

IUPAC2-[3-(4-hydroxyphenyl)-4-oxo-2-[(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESO=C(CC1SC(=NN=C2C(=O)Nc3ccccc32)N(c2ccc(O)cc2)C1=O)Nc1ccccc1
InChIInChI=1S/C25H19N5O4S/c31-17-12-10-16(11-13-17)30-24(34)20(14-21(32)26-15-6-2-1-3-7-15)35-25(30)29-28-22-18-8-4-5-9-19(18)27-23(22)33/h1-13,20,31H,14H2,(H,26,32)(H,27,28,33)
InChIKeyRBHCWBVQLVBQNS-UHFFFAOYSA-N
MW485.53 g/mol
LogP3.58
Rot. Bonds5

About 2-[3-(4-hydroxyphenyl)-4-oxo-2-[(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide

2-[3-(4-hydroxyphenyl)-4-oxo-2-[(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide (PubChem CID 135463328) has the molecular formula C25H19N5O4S and a molecular weight of 485.53 g/mol. Its IUPAC name is 2-[3-(4-hydroxyphenyl)-4-oxo-2-[(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-(4-hydroxyphenyl)-4-oxo-2-[(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide
PubChem CID135463328
Molecular FormulaC25H19N5O4S
Molecular Weight485.53 g/mol
Exact Mass485.12
IUPAC Name2-[3-(4-hydroxyphenyl)-4-oxo-2-[(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESO=C(CC1SC(=NN=C2C(=O)Nc3ccccc32)N(c2ccc(O)cc2)C1=O)Nc1ccccc1
InChIInChI=1S/C25H19N5O4S/c31-17-12-10-16(11-13-17)30-24(34)20(14-21(32)26-15-6-2-1-3-7-15)35-25(30)29-28-22-18-8-4-5-9-19(18)27-23(22)33/h1-13,20,31H,14H2,(H,26,32)(H,27,28,33)
InChIKeyRBHCWBVQLVBQNS-UHFFFAOYSA-N
XLogP3.58
TPSA123.46 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.53
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-2-[3-(4-hydroxyphenyl)-4-oxo-2-[(Z)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 135819825
N-(4-bromophenyl)-2-[(2Z,5R)-3-(4-hydroxyphenyl)-4-oxo-2-[(E)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 136912523
N-(4-bromophenyl)-2-[(2Z,5S)-3-(4-hydroxyphenyl)-4-oxo-2-[(E)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 136912522
2-[3-(4-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 3394136
2-[3-(4-hydroxyphenyl)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 3390739
2-[(5S)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 1243248
2-[(2E)-3-(4-hydroxyphenyl)-2-[(Z)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 135968340
2-[2-(cinnamylidenehydrazinylidene)-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 6798512
2-[(2E)-3-(4-hydroxyphenyl)-2-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 18804116
(2E)-5-methyl-3-(4-methylphenyl)-2-[(E)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 135503853
2-[4-[(Z)-[(Z)-[(5R)-5-[2-(4-fluoroanilino)-2-oxoethyl]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]phenoxy]acetic acid
CID 98143930
2-[(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 18804110

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-hydroxyphenyl)-4-oxo-2-[(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The IUPAC name of 2-[3-(4-hydroxyphenyl)-4-oxo-2-[(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide (CID 135463328) is 2-[3-(4-hydroxyphenyl)-4-oxo-2-[(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[3-(4-hydroxyphenyl)-4-oxo-2-[(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The canonical SMILES for 2-[3-(4-hydroxyphenyl)-4-oxo-2-[(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide is O=C(CC1SC(=NN=C2C(=O)Nc3ccccc32)N(c2ccc(O)cc2)C1=O)Nc1ccccc1.
What is the InChIKey of 2-[3-(4-hydroxyphenyl)-4-oxo-2-[(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The InChIKey is RBHCWBVQLVBQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O4S/c31-17-12-10-16(11-13-17)30-24(34)20(14-21(32)26-15-6-2-1-3-7-15)35-25(30)29-28-22-18-8-4-5-9-19(18)27-23(22)33/h1-13,20,31H,14H2,(H,26,32)(H,27,28,33).
What are the key properties of 2-[3-(4-hydroxyphenyl)-4-oxo-2-[(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide?
2-[3-(4-hydroxyphenyl)-4-oxo-2-[(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide has a molecular weight of 485.53 g/mol, XLogP of 3.58, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-hydroxyphenyl)-4-oxo-2-[(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide is sourced from PubChem (CID 135463328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).