(2Z,5S)-5-methyl-3-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one

C23H21N3OS — CID 7413332

IUPAC(2Z,5S)-5-methyl-3-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1ccccc1CN1C(=O)[C@H](C)S/C1=N\N=C/c1cccc2ccccc12
InChIInChI=1S/C23H21N3OS/c1-16-8-3-4-10-20(16)15-26-22(27)17(2)28-23(26)25-24-14-19-12-7-11-18-9-5-6-13-21(18)19/h3-14,17H,15H2,1-2H3/b24-14-,25-23-/t17-/m0/s1
InChIKeyMPHAHWLFVVSQTN-YXXFTRQZSA-N
MW387.51 g/mol
LogP5.00
Rot. Bonds4

About (2Z,5S)-5-methyl-3-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2Z,5S)-5-methyl-3-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 7413332) has the molecular formula C23H21N3OS and a molecular weight of 387.51 g/mol. Its IUPAC name is (2Z,5S)-5-methyl-3-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5S)-5-methyl-3-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID7413332
Molecular FormulaC23H21N3OS
Molecular Weight387.51 g/mol
Exact Mass387.14
IUPAC Name(2Z,5S)-5-methyl-3-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1ccccc1CN1C(=O)[C@H](C)S/C1=N\N=C/c1cccc2ccccc12
InChIInChI=1S/C23H21N3OS/c1-16-8-3-4-10-20(16)15-26-22(27)17(2)28-23(26)25-24-14-19-12-7-11-18-9-5-6-13-21(18)19/h3-14,17H,15H2,1-2H3/b24-14-,25-23-/t17-/m0/s1
InChIKeyMPHAHWLFVVSQTN-YXXFTRQZSA-N
XLogP5.00
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.51
LogP ≤ 55.00
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'}

Analyze (2Z,5S)-5-methyl-3-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-butyl-3-[(2-methylphenyl)methyl]-2-(naphthalen-1-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 3692288
(2Z)-3-[(4-fluorophenyl)methyl]-5-methyl-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 71710841
(2Z,5R)-5-methyl-3-[(2-methylphenyl)methyl]-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 7403971
2-[(4-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 5165972
(2Z)-3-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 6887833
(2Z,5R)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-methyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 7431599
(2Z,5R)-5-methyl-3-[(2-methylphenyl)methyl]-2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 7412190
(2E,5S)-2-[(Z)-(5-bromo-2-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
CID 6581784
(2Z)-3-benzyl-2-[(E)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 71710836
(2Z,5S)-5-ethyl-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
CID 7411954
2-[(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
CID 3794677
(2E,5S)-5-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135780022

Frequently Asked Questions

What is the IUPAC name of (2Z,5S)-5-methyl-3-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5S)-5-methyl-3-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 7413332) is (2Z,5S)-5-methyl-3-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5S)-5-methyl-3-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5S)-5-methyl-3-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is Cc1ccccc1CN1C(=O)[C@H](C)S/C1=N\N=C/c1cccc2ccccc12.
What is the InChIKey of (2Z,5S)-5-methyl-3-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is MPHAHWLFVVSQTN-YXXFTRQZSA-N. The full InChI is InChI=1S/C23H21N3OS/c1-16-8-3-4-10-20(16)15-26-22(27)17(2)28-23(26)25-24-14-19-12-7-11-18-9-5-6-13-21(18)19/h3-14,17H,15H2,1-2H3/b24-14-,25-23-/t17-/m0/s1.
What are the key properties of (2Z,5S)-5-methyl-3-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z,5S)-5-methyl-3-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 387.51 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5S)-5-methyl-3-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 7413332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).