(2E)-N-(2-methoxyphenyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide

C12H12N2O3S — CID 6172966

IUPAC(2E)-N-(2-methoxyphenyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
SMILESCOc1ccccc1NC(=O)/C=C1\NC(=O)CS1
InChIInChI=1S/C12H12N2O3S/c1-17-9-5-3-2-4-8(9)13-10(15)6-12-14-11(16)7-18-12/h2-6H,7H2,1H3,(H,13,15)(H,14,16)/b12-6+
InChIKeyHWOZWOWULWNXLF-WUXMJOGZSA-N
MW264.31 g/mol
LogP1.34
Rot. Bonds3

About (2E)-N-(2-methoxyphenyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide

(2E)-N-(2-methoxyphenyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide (PubChem CID 6172966) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is (2E)-N-(2-methoxyphenyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide.

Molecular Properties

Compound Name(2E)-N-(2-methoxyphenyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
PubChem CID6172966
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name(2E)-N-(2-methoxyphenyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
SMILESCOc1ccccc1NC(=O)/C=C1\NC(=O)CS1
InChIInChI=1S/C12H12N2O3S/c1-17-9-5-3-2-4-8(9)13-10(15)6-12-14-11(16)7-18-12/h2-6H,7H2,1H3,(H,13,15)(H,14,16)/b12-6+
InChIKeyHWOZWOWULWNXLF-WUXMJOGZSA-N
XLogP1.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (2E)-N-(2-methoxyphenyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide?
The IUPAC name of (2E)-N-(2-methoxyphenyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide (CID 6172966) is (2E)-N-(2-methoxyphenyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide.
What is the SMILES notation for (2E)-N-(2-methoxyphenyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide?
The canonical SMILES for (2E)-N-(2-methoxyphenyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide is COc1ccccc1NC(=O)/C=C1\NC(=O)CS1.
What is the InChIKey of (2E)-N-(2-methoxyphenyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide?
The InChIKey is HWOZWOWULWNXLF-WUXMJOGZSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-17-9-5-3-2-4-8(9)13-10(15)6-12-14-11(16)7-18-12/h2-6H,7H2,1H3,(H,13,15)(H,14,16)/b12-6+.
What are the key properties of (2E)-N-(2-methoxyphenyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide?
(2E)-N-(2-methoxyphenyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide has a molecular weight of 264.31 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(2-methoxyphenyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide is sourced from PubChem (CID 6172966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).