methyl (2Z)-2-[(2Z)-3-ethyl-2-[(4-methylphenyl)sulfonylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]acetate

C15H17N3O5S2 — CID 154584401

IUPACmethyl (2Z)-2-[(2Z)-3-ethyl-2-[(4-methylphenyl)sulfonylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]acetate
SMILESCCN1C(=O)/C(=C/C(=O)OC)S/C1=N\NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H17N3O5S2/c1-4-18-14(20)12(9-13(19)23-3)24-15(18)16-17-25(21,22)11-7-5-10(2)6-8-11/h5-9,17H,4H2,1-3H3/b12-9-,16-15-
InChIKeyPRGPCTAMDLVSAA-SIDRHLKMSA-N
MW383.45 g/mol
LogP1.20
Rot. Bonds5

About methyl (2Z)-2-[(2Z)-3-ethyl-2-[(4-methylphenyl)sulfonylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]acetate

methyl (2Z)-2-[(2Z)-3-ethyl-2-[(4-methylphenyl)sulfonylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]acetate (PubChem CID 154584401) has the molecular formula C15H17N3O5S2 and a molecular weight of 383.45 g/mol. Its IUPAC name is methyl (2Z)-2-[(2Z)-3-ethyl-2-[(4-methylphenyl)sulfonylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-[(2Z)-3-ethyl-2-[(4-methylphenyl)sulfonylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]acetate
PubChem CID154584401
Molecular FormulaC15H17N3O5S2
Molecular Weight383.45 g/mol
Exact Mass383.06
IUPAC Namemethyl (2Z)-2-[(2Z)-3-ethyl-2-[(4-methylphenyl)sulfonylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]acetate
SMILESCCN1C(=O)/C(=C/C(=O)OC)S/C1=N\NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H17N3O5S2/c1-4-18-14(20)12(9-13(19)23-3)24-15(18)16-17-25(21,22)11-7-5-10(2)6-8-11/h5-9,17H,4H2,1-3H3/b12-9-,16-15-
InChIKeyPRGPCTAMDLVSAA-SIDRHLKMSA-N
XLogP1.20
TPSA105.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_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 methyl (2Z)-2-[(2Z)-3-ethyl-2-[(4-methylphenyl)sulfonylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]acetate?
The IUPAC name of methyl (2Z)-2-[(2Z)-3-ethyl-2-[(4-methylphenyl)sulfonylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]acetate (CID 154584401) is methyl (2Z)-2-[(2Z)-3-ethyl-2-[(4-methylphenyl)sulfonylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]acetate.
What is the SMILES notation for methyl (2Z)-2-[(2Z)-3-ethyl-2-[(4-methylphenyl)sulfonylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]acetate?
The canonical SMILES for methyl (2Z)-2-[(2Z)-3-ethyl-2-[(4-methylphenyl)sulfonylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]acetate is CCN1C(=O)/C(=C/C(=O)OC)S/C1=N\NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of methyl (2Z)-2-[(2Z)-3-ethyl-2-[(4-methylphenyl)sulfonylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]acetate?
The InChIKey is PRGPCTAMDLVSAA-SIDRHLKMSA-N. The full InChI is InChI=1S/C15H17N3O5S2/c1-4-18-14(20)12(9-13(19)23-3)24-15(18)16-17-25(21,22)11-7-5-10(2)6-8-11/h5-9,17H,4H2,1-3H3/b12-9-,16-15-.
What are the key properties of methyl (2Z)-2-[(2Z)-3-ethyl-2-[(4-methylphenyl)sulfonylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]acetate?
methyl (2Z)-2-[(2Z)-3-ethyl-2-[(4-methylphenyl)sulfonylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]acetate has a molecular weight of 383.45 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-[(2Z)-3-ethyl-2-[(4-methylphenyl)sulfonylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]acetate is sourced from PubChem (CID 154584401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).