(2Z)-3-(naphthalen-1-ylmethyl)-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one

C22H19N3OS — CID 127037793

IUPAC(2Z)-3-(naphthalen-1-ylmethyl)-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N\N=C1/SCC(=O)N1Cc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C22H19N3OS/c1-16(17-8-3-2-4-9-17)23-24-22-25(21(26)15-27-22)14-19-12-7-11-18-10-5-6-13-20(18)19/h2-13H,14-15H2,1H3/b23-16+,24-22-
InChIKeyPWORUHWLNDUADX-NGAXQJCKSA-N
MW373.48 g/mol
LogP4.70
Rot. Bonds4

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

(2Z)-3-(naphthalen-1-ylmethyl)-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 127037793) has the molecular formula C22H19N3OS and a molecular weight of 373.48 g/mol. Its IUPAC name is (2Z)-3-(naphthalen-1-ylmethyl)-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-3-(naphthalen-1-ylmethyl)-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID127037793
Molecular FormulaC22H19N3OS
Molecular Weight373.48 g/mol
Exact Mass373.12
IUPAC Name(2Z)-3-(naphthalen-1-ylmethyl)-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N\N=C1/SCC(=O)N1Cc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C22H19N3OS/c1-16(17-8-3-2-4-9-17)23-24-22-25(21(26)15-27-22)14-19-12-7-11-18-10-5-6-13-20(18)19/h2-13H,14-15H2,1H3/b23-16+,24-22-
InChIKeyPWORUHWLNDUADX-NGAXQJCKSA-N
XLogP4.70
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 54.70
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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Related Compounds

2-[5-(3,4-Dimethylphenyl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
CID 90656359
2-(3-Naphthalen-2-yl-5-phenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one
CID 90656356
2-[5-(4-Methylphenyl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
CID 90656358
2-(3-Naphthalen-1-yl-5-phenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one
CID 90676755
2-[5-(4-Methylphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
CID 90676759
2-[5-(4-Fluorophenyl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
CID 90676765
(2E)-3-benzyl-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 5589754
2-[5-(3,4-Dimethylphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
CID 86294833
(2E)-3-benzyl-2-(cyclohexylidenehydrazono)thiazolidin-4-one
CID 118713900
(2E)-3-benzyl-2-[(Z)-(2-methylcyclohexylidene)hydrazono]thiazolidin-4-one
CID 118713901
(2E)-3-benzyl-2-[(Z)-(3-methylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 118713902
(2E)-3-benzyl-2-[(4-methylcyclohexylidene)hydrazono]thiazolidin-4-one
CID 118713903

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-(naphthalen-1-ylmethyl)-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-3-(naphthalen-1-ylmethyl)-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 127037793) is (2Z)-3-(naphthalen-1-ylmethyl)-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-3-(naphthalen-1-ylmethyl)-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-3-(naphthalen-1-ylmethyl)-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one is C/C(=N\N=C1/SCC(=O)N1Cc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of (2Z)-3-(naphthalen-1-ylmethyl)-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is PWORUHWLNDUADX-NGAXQJCKSA-N. The full InChI is InChI=1S/C22H19N3OS/c1-16(17-8-3-2-4-9-17)23-24-22-25(21(26)15-27-22)14-19-12-7-11-18-10-5-6-13-20(18)19/h2-13H,14-15H2,1H3/b23-16+,24-22-.
What are the key properties of (2Z)-3-(naphthalen-1-ylmethyl)-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-3-(naphthalen-1-ylmethyl)-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 373.48 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-(naphthalen-1-ylmethyl)-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 127037793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).