2-[(4Z)-2,5-dioxo-4-[(E)-3-phenylprop-2-enylidene]imidazolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C17H14N4O3S — CID 16633026

IUPAC2-[(4Z)-2,5-dioxo-4-[(E)-3-phenylprop-2-enylidene]imidazolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1C(=O)N/C(=C\C=C\c2ccccc2)C1=O)Nc1nccs1
InChIInChI=1S/C17H14N4O3S/c22-14(20-16-18-9-10-25-16)11-21-15(23)13(19-17(21)24)8-4-7-12-5-2-1-3-6-12/h1-10H,11H2,(H,19,24)(H,18,20,22)/b7-4+,13-8-
InChIKeyRCVUQKKKTQSABT-XOHVCTMJSA-N
MW354.39 g/mol
LogP2.23
Rot. Bonds5

About 2-[(4Z)-2,5-dioxo-4-[(E)-3-phenylprop-2-enylidene]imidazolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[(4Z)-2,5-dioxo-4-[(E)-3-phenylprop-2-enylidene]imidazolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 16633026) has the molecular formula C17H14N4O3S and a molecular weight of 354.39 g/mol. Its IUPAC name is 2-[(4Z)-2,5-dioxo-4-[(E)-3-phenylprop-2-enylidene]imidazolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4Z)-2,5-dioxo-4-[(E)-3-phenylprop-2-enylidene]imidazolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID16633026
Molecular FormulaC17H14N4O3S
Molecular Weight354.39 g/mol
Exact Mass354.08
IUPAC Name2-[(4Z)-2,5-dioxo-4-[(E)-3-phenylprop-2-enylidene]imidazolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1C(=O)N/C(=C\C=C\c2ccccc2)C1=O)Nc1nccs1
InChIInChI=1S/C17H14N4O3S/c22-14(20-16-18-9-10-25-16)11-21-15(23)13(19-17(21)24)8-4-7-12-5-2-1-3-6-12/h1-10H,11H2,(H,19,24)(H,18,20,22)/b7-4+,13-8-
InChIKeyRCVUQKKKTQSABT-XOHVCTMJSA-N
XLogP2.23
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 1382338
ethyl 4-[[2-[(4Z)-2,5-dioxo-4-[(E)-3-phenylprop-2-enylidene]imidazolidin-1-yl]acetyl]amino]benzoate
CID 16632842
2-[(5Z)-2,4-dioxo-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 16632434
2-[(5E)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 6388215
2-[(4E)-4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 126249690
2-[(5Z)-4-oxo-5-[(4-phenylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 16629494
4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)butanamide
CID 719768
2-[(3aR,5R,7aR)-1,3-dioxo-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 51576091
2-(2,5-dimethylpyrrol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 110688880
7-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)heptanamide
CID 3148603
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 17450343
(Z)-3-phenyl-N-(1,3-thiazol-2-ylcarbamothioyl)prop-2-enamide
CID 92527231

Frequently Asked Questions

What is the IUPAC name of 2-[(4Z)-2,5-dioxo-4-[(E)-3-phenylprop-2-enylidene]imidazolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(4Z)-2,5-dioxo-4-[(E)-3-phenylprop-2-enylidene]imidazolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 16633026) is 2-[(4Z)-2,5-dioxo-4-[(E)-3-phenylprop-2-enylidene]imidazolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(4Z)-2,5-dioxo-4-[(E)-3-phenylprop-2-enylidene]imidazolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(4Z)-2,5-dioxo-4-[(E)-3-phenylprop-2-enylidene]imidazolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(CN1C(=O)N/C(=C\C=C\c2ccccc2)C1=O)Nc1nccs1.
What is the InChIKey of 2-[(4Z)-2,5-dioxo-4-[(E)-3-phenylprop-2-enylidene]imidazolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is RCVUQKKKTQSABT-XOHVCTMJSA-N. The full InChI is InChI=1S/C17H14N4O3S/c22-14(20-16-18-9-10-25-16)11-21-15(23)13(19-17(21)24)8-4-7-12-5-2-1-3-6-12/h1-10H,11H2,(H,19,24)(H,18,20,22)/b7-4+,13-8-.
What are the key properties of 2-[(4Z)-2,5-dioxo-4-[(E)-3-phenylprop-2-enylidene]imidazolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(4Z)-2,5-dioxo-4-[(E)-3-phenylprop-2-enylidene]imidazolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 354.39 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4Z)-2,5-dioxo-4-[(E)-3-phenylprop-2-enylidene]imidazolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 16633026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).