N-(5-benzylidene-4-oxo-1,3-thiazol-2-yl)acetamide

C12H10N2O2S — CID 696268

IUPACN-(5-benzylidene-4-oxo-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)NC1=NC(=O)C(=Cc2ccccc2)S1
InChIInChI=1S/C12H10N2O2S/c1-8(15)13-12-14-11(16)10(17-12)7-9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14,15,16)
InChIKeyQMKPYQOFBUYLQJ-UHFFFAOYSA-N
MW246.29 g/mol
LogP1.79
Rot. Bonds1

About N-(5-benzylidene-4-oxo-1,3-thiazol-2-yl)acetamide

N-(5-benzylidene-4-oxo-1,3-thiazol-2-yl)acetamide (PubChem CID 696268) has the molecular formula C12H10N2O2S and a molecular weight of 246.29 g/mol. Its IUPAC name is N-(5-benzylidene-4-oxo-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-benzylidene-4-oxo-1,3-thiazol-2-yl)acetamide
PubChem CID696268
Molecular FormulaC12H10N2O2S
Molecular Weight246.29 g/mol
Exact Mass246.05
IUPAC NameN-(5-benzylidene-4-oxo-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)NC1=NC(=O)C(=Cc2ccccc2)S1
InChIInChI=1S/C12H10N2O2S/c1-8(15)13-12-14-11(16)10(17-12)7-9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14,15,16)
InChIKeyQMKPYQOFBUYLQJ-UHFFFAOYSA-N
XLogP1.79
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(5Z)-5-benzylidene-4-oxo-1,3-thiazol-2-yl]acetamide
CID 2223650
N-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
CID 2255687
methyl 4-[(E)-(2-acetamido-4-oxo-1,3-thiazol-5-ylidene)methyl]benzoate
CID 2255196
N-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
CID 2248497
N-[(5E)-5-[(2-ethoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
CID 1227524
N-[5-[(5-iodofuran-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
CID 1360683
N-[(5Z)-5-[(1-acetyl-3-phenylpyrazol-4-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
CID 7115460
N-[(5E)-5-[(3,5-dibromo-4-methoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
CID 6380740
5-benzylidene-2-methyl-1,3-thiazol-4-one
CID 86629114
N-[(5Z)-5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
CID 6089416
N-[(5Z)-5-[[3-[(4-fluorophenyl)methoxy]phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
CID 2175250
N-[(5Z)-5-[(3-chloro-4-ethoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
CID 7333904

Frequently Asked Questions

What is the IUPAC name of N-(5-benzylidene-4-oxo-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-(5-benzylidene-4-oxo-1,3-thiazol-2-yl)acetamide (CID 696268) is N-(5-benzylidene-4-oxo-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-(5-benzylidene-4-oxo-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-(5-benzylidene-4-oxo-1,3-thiazol-2-yl)acetamide is CC(=O)NC1=NC(=O)C(=Cc2ccccc2)S1.
What is the InChIKey of N-(5-benzylidene-4-oxo-1,3-thiazol-2-yl)acetamide?
The InChIKey is QMKPYQOFBUYLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S/c1-8(15)13-12-14-11(16)10(17-12)7-9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14,15,16).
What are the key properties of N-(5-benzylidene-4-oxo-1,3-thiazol-2-yl)acetamide?
N-(5-benzylidene-4-oxo-1,3-thiazol-2-yl)acetamide has a molecular weight of 246.29 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzylidene-4-oxo-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 696268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).