(2Z,5R)-5-methyl-3-[(2-methylphenyl)methyl]-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C20H21N3OS — CID 7403971

IUPAC(2Z,5R)-5-methyl-3-[(2-methylphenyl)methyl]-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1ccc(/C=N\N=C2/S[C@H](C)C(=O)N2Cc2ccccc2C)cc1
InChIInChI=1S/C20H21N3OS/c1-14-8-10-17(11-9-14)12-21-22-20-23(19(24)16(3)25-20)13-18-7-5-4-6-15(18)2/h4-12,16H,13H2,1-3H3/b21-12-,22-20-/t16-/m1/s1
InChIKeyYZHIHNNYLIGCBH-DRTMTEDASA-N
MW351.48 g/mol
LogP4.16
Rot. Bonds4

About (2Z,5R)-5-methyl-3-[(2-methylphenyl)methyl]-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2Z,5R)-5-methyl-3-[(2-methylphenyl)methyl]-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 7403971) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is (2Z,5R)-5-methyl-3-[(2-methylphenyl)methyl]-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5R)-5-methyl-3-[(2-methylphenyl)methyl]-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID7403971
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name(2Z,5R)-5-methyl-3-[(2-methylphenyl)methyl]-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1ccc(/C=N\N=C2/S[C@H](C)C(=O)N2Cc2ccccc2C)cc1
InChIInChI=1S/C20H21N3OS/c1-14-8-10-17(11-9-14)12-21-22-20-23(19(24)16(3)25-20)13-18-7-5-4-6-15(18)2/h4-12,16H,13H2,1-3H3/b21-12-,22-20-/t16-/m1/s1
InChIKeyYZHIHNNYLIGCBH-DRTMTEDASA-N
XLogP4.16
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.16
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,5R)-5-methyl-3-[(2-methylphenyl)methyl]-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-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

2-[(4-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 5165972
5-butyl-3-[(2-methylphenyl)methyl]-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 3319992
(2Z,5S)-5-methyl-3-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 7413332
(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
2-[(4-bromophenyl)methylidenehydrazinylidene]-5-ethyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 3783813
2-[(4-chlorophenyl)methylidenehydrazinylidene]-5-ethyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 3330578
(2E,5R)-3-benzyl-2-[(Z)-(4-bromophenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 51711026
(2E,5S)-2-[(Z)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
CID 6580595
(2Z,5R)-3-benzyl-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 7404039
(2Z)-3-benzyl-2-[(E)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 71710836
2-[(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
CID 3794677

Frequently Asked Questions

What is the IUPAC name of (2Z,5R)-5-methyl-3-[(2-methylphenyl)methyl]-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5R)-5-methyl-3-[(2-methylphenyl)methyl]-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 7403971) is (2Z,5R)-5-methyl-3-[(2-methylphenyl)methyl]-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5R)-5-methyl-3-[(2-methylphenyl)methyl]-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5R)-5-methyl-3-[(2-methylphenyl)methyl]-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is Cc1ccc(/C=N\N=C2/S[C@H](C)C(=O)N2Cc2ccccc2C)cc1.
What is the InChIKey of (2Z,5R)-5-methyl-3-[(2-methylphenyl)methyl]-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is YZHIHNNYLIGCBH-DRTMTEDASA-N. The full InChI is InChI=1S/C20H21N3OS/c1-14-8-10-17(11-9-14)12-21-22-20-23(19(24)16(3)25-20)13-18-7-5-4-6-15(18)2/h4-12,16H,13H2,1-3H3/b21-12-,22-20-/t16-/m1/s1.
What are the key properties of (2Z,5R)-5-methyl-3-[(2-methylphenyl)methyl]-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z,5R)-5-methyl-3-[(2-methylphenyl)methyl]-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 351.48 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5R)-5-methyl-3-[(2-methylphenyl)methyl]-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 7403971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).