2-[[(2Z)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-3-yl]methyl]isoindole-1,3-dione

C23H16N4O3S — CID 127040516

IUPAC2-[[(2Z)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-3-yl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CN1C(=O)CS/C1=N\N=C\c1cccc2ccccc12
InChIInChI=1S/C23H16N4O3S/c28-20-13-31-23(25-24-12-16-8-5-7-15-6-1-2-9-17(15)16)26(20)14-27-21(29)18-10-3-4-11-19(18)22(27)30/h1-12H,13-14H2/b24-12+,25-23-
InChIKeyDZQVGJFYPFHQSN-IVZTXLFASA-N
MW428.47 g/mol
LogP3.36
Rot. Bonds4

About 2-[[(2Z)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-3-yl]methyl]isoindole-1,3-dione

2-[[(2Z)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-3-yl]methyl]isoindole-1,3-dione (PubChem CID 127040516) has the molecular formula C23H16N4O3S and a molecular weight of 428.47 g/mol. Its IUPAC name is 2-[[(2Z)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-3-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[(2Z)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-3-yl]methyl]isoindole-1,3-dione
PubChem CID127040516
Molecular FormulaC23H16N4O3S
Molecular Weight428.47 g/mol
Exact Mass428.09
IUPAC Name2-[[(2Z)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-3-yl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CN1C(=O)CS/C1=N\N=C\c1cccc2ccccc12
InChIInChI=1S/C23H16N4O3S/c28-20-13-31-23(25-24-12-16-8-5-7-15-6-1-2-9-17(15)16)26(20)14-27-21(29)18-10-3-4-11-19(18)22(27)30/h1-12H,13-14H2/b24-12+,25-23-
InChIKeyDZQVGJFYPFHQSN-IVZTXLFASA-N
XLogP3.36
TPSA82.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2E)-3-benzyl-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 6879010
(2Z)-3-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 6887833
(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
CID 6887669
(2E)-3-benzyl-2-[(E)-benzylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 6886864
(2Z)-3-[(4-ethoxyphenyl)methyl]-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135699720
(2Z,5S)-5-methyl-3-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 7413332
(2Z)-3-[(4-fluorophenyl)methyl]-5-methyl-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 71710841
(2Z)-3-butyl-2-[(E)-(4-oxo-3-phenylquinazolin-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 14661277
5-[(4-fluorophenyl)methyl]-2-(naphthalen-1-ylmethylidenehydrazinylidene)-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 5193803
(2Z)-2-[(Z)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 6887796
5-butyl-3-[(2-methylphenyl)methyl]-2-(naphthalen-1-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 3692288
(2Z)-2-[(E)-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]methylidenehydrazinylidene]-3-butyl-1,3-thiazolidin-4-one
CID 14661284

Frequently Asked Questions

What is the IUPAC name of 2-[[(2Z)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-3-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[(2Z)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-3-yl]methyl]isoindole-1,3-dione (CID 127040516) is 2-[[(2Z)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-3-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[(2Z)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-3-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[(2Z)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-3-yl]methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CN1C(=O)CS/C1=N\N=C\c1cccc2ccccc12.
What is the InChIKey of 2-[[(2Z)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-3-yl]methyl]isoindole-1,3-dione?
The InChIKey is DZQVGJFYPFHQSN-IVZTXLFASA-N. The full InChI is InChI=1S/C23H16N4O3S/c28-20-13-31-23(25-24-12-16-8-5-7-15-6-1-2-9-17(15)16)26(20)14-27-21(29)18-10-3-4-11-19(18)22(27)30/h1-12H,13-14H2/b24-12+,25-23-.
What are the key properties of 2-[[(2Z)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-3-yl]methyl]isoindole-1,3-dione?
2-[[(2Z)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-3-yl]methyl]isoindole-1,3-dione has a molecular weight of 428.47 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2Z)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-3-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 127040516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).