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

C6H7NO3S — CID 599229

IUPACmethyl 2-(4-oxo-1,3-thiazolidin-2-ylidene)acetate
SMILESCOC(=O)C=C1NC(=O)CS1
InChIInChI=1S/C6H7NO3S/c1-10-6(9)2-5-7-4(8)3-11-5/h2H,3H2,1H3,(H,7,8)
InChIKeyYERBFSSSKXIGIJ-UHFFFAOYSA-N
MW173.19 g/mol
LogP-0.14
Rot. Bonds1

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

methyl 2-(4-oxo-1,3-thiazolidin-2-ylidene)acetate (PubChem CID 599229) has the molecular formula C6H7NO3S and a molecular weight of 173.19 g/mol. Its IUPAC name is methyl 2-(4-oxo-1,3-thiazolidin-2-ylidene)acetate.

Molecular Properties

Compound Namemethyl 2-(4-oxo-1,3-thiazolidin-2-ylidene)acetate
PubChem CID599229
Molecular FormulaC6H7NO3S
Molecular Weight173.19 g/mol
Exact Mass173.01
IUPAC Namemethyl 2-(4-oxo-1,3-thiazolidin-2-ylidene)acetate
SMILESCOC(=O)C=C1NC(=O)CS1
InChIInChI=1S/C6H7NO3S/c1-10-6(9)2-5-7-4(8)3-11-5/h2H,3H2,1H3,(H,7,8)
InChIKeyYERBFSSSKXIGIJ-UHFFFAOYSA-N
XLogP-0.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-(2-oxopropylidene)-1,3-thiazolidin-4-one
CID 138511626
(2Z)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 2110837
(2Z)-N-(1-adamantyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
CID 17273292
(2E)-N-benzyl-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
CID 17273290
(2E)-N-(2-ethoxyphenyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
CID 5388655
methyl (2E)-2-[(2Z)-2-(2-methoxy-2-oxoethylidene)cyclohexylidene]acetate
CID 10466192
methyl 3-[4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl]prop-2-enoate
CID 168575083
methyl (2Z)-2-[(4E)-4-(2-methoxy-2-oxoethylidene)oxolan-3-ylidene]acetate
CID 177429398
oxalic acid;1,3-thiazolidine-2,4-dione
CID 158343374
methyl N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]carbamate
CID 110784769
methyl (2E)-2-(2,4,4-trimethylcyclopentylidene)acetate
CID 178191203
2-ethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
CID 137194848

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-oxo-1,3-thiazolidin-2-ylidene)acetate?
The IUPAC name of methyl 2-(4-oxo-1,3-thiazolidin-2-ylidene)acetate (CID 599229) is methyl 2-(4-oxo-1,3-thiazolidin-2-ylidene)acetate.
What is the SMILES notation for methyl 2-(4-oxo-1,3-thiazolidin-2-ylidene)acetate?
The canonical SMILES for methyl 2-(4-oxo-1,3-thiazolidin-2-ylidene)acetate is COC(=O)C=C1NC(=O)CS1.
What is the InChIKey of methyl 2-(4-oxo-1,3-thiazolidin-2-ylidene)acetate?
The InChIKey is YERBFSSSKXIGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3S/c1-10-6(9)2-5-7-4(8)3-11-5/h2H,3H2,1H3,(H,7,8).
What are the key properties of methyl 2-(4-oxo-1,3-thiazolidin-2-ylidene)acetate?
methyl 2-(4-oxo-1,3-thiazolidin-2-ylidene)acetate has a molecular weight of 173.19 g/mol, XLogP of -0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-oxo-1,3-thiazolidin-2-ylidene)acetate is sourced from PubChem (CID 599229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).