(2Z)-2-[(E)-[(Z)-4-methylpent-2-enylidene]hydrazinylidene]-3-[(2-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one

C19H25N3OS — CID 153457578

IUPAC(2Z)-2-[(E)-[(Z)-4-methylpent-2-enylidene]hydrazinylidene]-3-[(2-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCC(C)/C=C\C=N\N=C1/SCC(=O)N1Cc1ccccc1C(C)C
InChIInChI=1S/C19H25N3OS/c1-14(2)8-7-11-20-21-19-22(18(23)13-24-19)12-16-9-5-6-10-17(16)15(3)4/h5-11,14-15H,12-13H2,1-4H3/b8-7-,20-11+,21-19-
InChIKeyONVMBGDUTGBMAA-OKYHMSCDSA-N
MW343.50 g/mol
LogP4.44
Rot. Bonds6

About (2Z)-2-[(E)-[(Z)-4-methylpent-2-enylidene]hydrazinylidene]-3-[(2-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one

(2Z)-2-[(E)-[(Z)-4-methylpent-2-enylidene]hydrazinylidene]-3-[(2-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 153457578) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is (2Z)-2-[(E)-[(Z)-4-methylpent-2-enylidene]hydrazinylidene]-3-[(2-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(E)-[(Z)-4-methylpent-2-enylidene]hydrazinylidene]-3-[(2-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID153457578
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name(2Z)-2-[(E)-[(Z)-4-methylpent-2-enylidene]hydrazinylidene]-3-[(2-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCC(C)/C=C\C=N\N=C1/SCC(=O)N1Cc1ccccc1C(C)C
InChIInChI=1S/C19H25N3OS/c1-14(2)8-7-11-20-21-19-22(18(23)13-24-19)12-16-9-5-6-10-17(16)15(3)4/h5-11,14-15H,12-13H2,1-4H3/b8-7-,20-11+,21-19-
InChIKeyONVMBGDUTGBMAA-OKYHMSCDSA-N
XLogP4.44
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 54.44
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

(2E)-3-benzyl-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 5589754
(2E)-3-benzyl-2-(cyclopentylidenehydrazono)thiazolidin-4-one
CID 118713897
(2E)-3-benzyl-2-[(Z)-(2-methylcyclopentylidene)hydrazono]thiazolidin-4-one
CID 118713898
(2E)-3-benzyl-2-[(Z)-(3-methylcyclopentylidene)hydrazono]thiazolidin-4-one
CID 118713899
(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
(2E)-3-benzyl-2-[(Z)-(2-tert-butylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 118713904
(2E)-3-benzyl-2-(cycloheptylidenehydrazono)thiazolidin-4-one
CID 118713905
(2E)-3-benzyl-2-(cyclooctylidenehydrazono)thiazolidin-4-one
CID 118713906
(2E)-3-benzyl-2-[(Z)-1-cyclohexylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 118713907

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-[(Z)-4-methylpent-2-enylidene]hydrazinylidene]-3-[(2-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(E)-[(Z)-4-methylpent-2-enylidene]hydrazinylidene]-3-[(2-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one (CID 153457578) is (2Z)-2-[(E)-[(Z)-4-methylpent-2-enylidene]hydrazinylidene]-3-[(2-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(E)-[(Z)-4-methylpent-2-enylidene]hydrazinylidene]-3-[(2-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(E)-[(Z)-4-methylpent-2-enylidene]hydrazinylidene]-3-[(2-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one is CC(C)/C=C\C=N\N=C1/SCC(=O)N1Cc1ccccc1C(C)C.
What is the InChIKey of (2Z)-2-[(E)-[(Z)-4-methylpent-2-enylidene]hydrazinylidene]-3-[(2-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is ONVMBGDUTGBMAA-OKYHMSCDSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-14(2)8-7-11-20-21-19-22(18(23)13-24-19)12-16-9-5-6-10-17(16)15(3)4/h5-11,14-15H,12-13H2,1-4H3/b8-7-,20-11+,21-19-.
What are the key properties of (2Z)-2-[(E)-[(Z)-4-methylpent-2-enylidene]hydrazinylidene]-3-[(2-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one?
(2Z)-2-[(E)-[(Z)-4-methylpent-2-enylidene]hydrazinylidene]-3-[(2-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 343.50 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-[(Z)-4-methylpent-2-enylidene]hydrazinylidene]-3-[(2-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 153457578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).