methyl (2Z)-2-(4-oxo-3-phenacyl-1,3-thiazolidin-2-ylidene)acetate

C14H13NO4S — CID 2374350

IUPACmethyl (2Z)-2-(4-oxo-3-phenacyl-1,3-thiazolidin-2-ylidene)acetate
SMILESCOC(=O)/C=C1\SCC(=O)N1CC(=O)c1ccccc1
InChIInChI=1S/C14H13NO4S/c1-19-14(18)7-13-15(12(17)9-20-13)8-11(16)10-5-3-2-4-6-10/h2-7H,8-9H2,1H3/b13-7-
InChIKeyRQUOZTSCZWZSRT-QPEQYQDCSA-N
MW291.33 g/mol
LogP1.46
Rot. Bonds4

About methyl (2Z)-2-(4-oxo-3-phenacyl-1,3-thiazolidin-2-ylidene)acetate

methyl (2Z)-2-(4-oxo-3-phenacyl-1,3-thiazolidin-2-ylidene)acetate (PubChem CID 2374350) has the molecular formula C14H13NO4S and a molecular weight of 291.33 g/mol. Its IUPAC name is methyl (2Z)-2-(4-oxo-3-phenacyl-1,3-thiazolidin-2-ylidene)acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-(4-oxo-3-phenacyl-1,3-thiazolidin-2-ylidene)acetate
PubChem CID2374350
Molecular FormulaC14H13NO4S
Molecular Weight291.33 g/mol
Exact Mass291.06
IUPAC Namemethyl (2Z)-2-(4-oxo-3-phenacyl-1,3-thiazolidin-2-ylidene)acetate
SMILESCOC(=O)/C=C1\SCC(=O)N1CC(=O)c1ccccc1
InChIInChI=1S/C14H13NO4S/c1-19-14(18)7-13-15(12(17)9-20-13)8-11(16)10-5-3-2-4-6-10/h2-7H,8-9H2,1H3/b13-7-
InChIKeyRQUOZTSCZWZSRT-QPEQYQDCSA-N
XLogP1.46
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-(4-oxo-3-phenacyl-1,3-thiazolidin-2-ylidene)acetate?
The IUPAC name of methyl (2Z)-2-(4-oxo-3-phenacyl-1,3-thiazolidin-2-ylidene)acetate (CID 2374350) is methyl (2Z)-2-(4-oxo-3-phenacyl-1,3-thiazolidin-2-ylidene)acetate.
What is the SMILES notation for methyl (2Z)-2-(4-oxo-3-phenacyl-1,3-thiazolidin-2-ylidene)acetate?
The canonical SMILES for methyl (2Z)-2-(4-oxo-3-phenacyl-1,3-thiazolidin-2-ylidene)acetate is COC(=O)/C=C1\SCC(=O)N1CC(=O)c1ccccc1.
What is the InChIKey of methyl (2Z)-2-(4-oxo-3-phenacyl-1,3-thiazolidin-2-ylidene)acetate?
The InChIKey is RQUOZTSCZWZSRT-QPEQYQDCSA-N. The full InChI is InChI=1S/C14H13NO4S/c1-19-14(18)7-13-15(12(17)9-20-13)8-11(16)10-5-3-2-4-6-10/h2-7H,8-9H2,1H3/b13-7-.
What are the key properties of methyl (2Z)-2-(4-oxo-3-phenacyl-1,3-thiazolidin-2-ylidene)acetate?
methyl (2Z)-2-(4-oxo-3-phenacyl-1,3-thiazolidin-2-ylidene)acetate has a molecular weight of 291.33 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-(4-oxo-3-phenacyl-1,3-thiazolidin-2-ylidene)acetate is sourced from PubChem (CID 2374350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).