(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one

C21H16ClN3OS — CID 6887669

IUPAC(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C/c2ccc(Cl)cc2)N1Cc1cccc2ccccc12
InChIInChI=1S/C21H16ClN3OS/c22-18-10-8-15(9-11-18)12-23-24-21-25(20(26)14-27-21)13-17-6-3-5-16-4-1-2-7-19(16)17/h1-12H,13-14H2/b23-12+,24-21+
InChIKeyUOHHSEYZSQJBOQ-BZCDASSZSA-N
MW393.90 g/mol
LogP4.96
Rot. Bonds4

About (2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one

(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 6887669) has the molecular formula C21H16ClN3OS and a molecular weight of 393.90 g/mol. Its IUPAC name is (2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
PubChem CID6887669
Molecular FormulaC21H16ClN3OS
Molecular Weight393.90 g/mol
Exact Mass393.07
IUPAC Name(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C/c2ccc(Cl)cc2)N1Cc1cccc2ccccc12
InChIInChI=1S/C21H16ClN3OS/c22-18-10-8-15(9-11-18)12-23-24-21-25(20(26)14-27-21)13-17-6-3-5-16-4-1-2-7-19(16)17/h1-12H,13-14H2/b23-12+,24-21+
InChIKeyUOHHSEYZSQJBOQ-BZCDASSZSA-N
XLogP4.96
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one (CID 6887669) is (2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one is O=C1CS/C(=N/N=C/c2ccc(Cl)cc2)N1Cc1cccc2ccccc12.
What is the InChIKey of (2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one?
The InChIKey is UOHHSEYZSQJBOQ-BZCDASSZSA-N. The full InChI is InChI=1S/C21H16ClN3OS/c22-18-10-8-15(9-11-18)12-23-24-21-25(20(26)14-27-21)13-17-6-3-5-16-4-1-2-7-19(16)17/h1-12H,13-14H2/b23-12+,24-21+.
What are the key properties of (2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one?
(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 393.90 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 6887669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).