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

C12H12N2O2S — CID 17273290

IUPAC(2E)-N-benzyl-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
SMILESO=C(/C=C1\NC(=O)CS1)NCc1ccccc1
InChIInChI=1S/C12H12N2O2S/c15-10(6-12-14-11(16)8-17-12)13-7-9-4-2-1-3-5-9/h1-6H,7-8H2,(H,13,15)(H,14,16)/b12-6+
InChIKeySQZBGRBHSKCDLC-WUXMJOGZSA-N
MW248.31 g/mol
LogP1.01
Rot. Bonds3

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

(2E)-N-benzyl-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide (PubChem CID 17273290) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is (2E)-N-benzyl-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide.

Molecular Properties

Compound Name(2E)-N-benzyl-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
PubChem CID17273290
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name(2E)-N-benzyl-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
SMILESO=C(/C=C1\NC(=O)CS1)NCc1ccccc1
InChIInChI=1S/C12H12N2O2S/c15-10(6-12-14-11(16)8-17-12)13-7-9-4-2-1-3-5-9/h1-6H,7-8H2,(H,13,15)(H,14,16)/b12-6+
InChIKeySQZBGRBHSKCDLC-WUXMJOGZSA-N
XLogP1.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-[4-[2-(benzylamino)-2-oxoethylidene]-1,3-dithietan-2-ylidene]acetamide
CID 12680451
N-benzyl-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide
CID 2905869
(2Z,4Z)-N,N'-dibenzylhexa-2,4-dienediamide
CID 102438932
methyl 2-(4-oxo-1,3-thiazolidin-2-ylidene)acetate
CID 599229
benzyl N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]carbamate
CID 110784771
ethyl (2Z)-5-methyl-2-(2-oxo-2-phenylmethoxyethylidene)-3,6-dihydro-1,3-thiazine-4-carboxylate
CID 101211774
(E)-N-benzyl-4-oxopent-2-enamide
CID 131237691
(2Z)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 2110837
N'-benzyloxamide
CID 561416
N-benzyl-1-hydroxy-2,2-dimethylcyclopropane-1-carboxamide
CID 132515764
(2E,4E)-N-benzylhexa-2,4-dienamide
CID 15743128
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylpropanamide
CID 37015148

Frequently Asked Questions

What is the IUPAC name of (2E)-N-benzyl-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide?
The IUPAC name of (2E)-N-benzyl-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide (CID 17273290) is (2E)-N-benzyl-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide.
What is the SMILES notation for (2E)-N-benzyl-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide?
The canonical SMILES for (2E)-N-benzyl-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide is O=C(/C=C1\NC(=O)CS1)NCc1ccccc1.
What is the InChIKey of (2E)-N-benzyl-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide?
The InChIKey is SQZBGRBHSKCDLC-WUXMJOGZSA-N. The full InChI is InChI=1S/C12H12N2O2S/c15-10(6-12-14-11(16)8-17-12)13-7-9-4-2-1-3-5-9/h1-6H,7-8H2,(H,13,15)(H,14,16)/b12-6+.
What are the key properties of (2E)-N-benzyl-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide?
(2E)-N-benzyl-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide has a molecular weight of 248.31 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-benzyl-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide is sourced from PubChem (CID 17273290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).