ethyl 2-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate

C23H19N3O5S — CID 2325473

IUPACethyl 2-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)nc1-c1ccccc1
InChIInChI=1S/C23H19N3O5S/c1-2-31-22(30)20-19(14-6-4-3-5-7-14)24-23(32-20)25-21(29)15-8-10-16(11-9-15)26-17(27)12-13-18(26)28/h3-11H,2,12-13H2,1H3,(H,24,25,29)
InChIKeyKGYYWENZXLVLNC-UHFFFAOYSA-N
MW449.49 g/mol
LogP3.89
Rot. Bonds6

About ethyl 2-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate

ethyl 2-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate (PubChem CID 2325473) has the molecular formula C23H19N3O5S and a molecular weight of 449.49 g/mol. Its IUPAC name is ethyl 2-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
PubChem CID2325473
Molecular FormulaC23H19N3O5S
Molecular Weight449.49 g/mol
Exact Mass449.10
IUPAC Nameethyl 2-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)nc1-c1ccccc1
InChIInChI=1S/C23H19N3O5S/c1-2-31-22(30)20-19(14-6-4-3-5-7-14)24-23(32-20)25-21(29)15-8-10-16(11-9-15)26-17(27)12-13-18(26)28/h3-11H,2,12-13H2,1H3,(H,24,25,29)
InChIKeyKGYYWENZXLVLNC-UHFFFAOYSA-N
XLogP3.89
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(4-tert-butylbenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 1311883
ethyl 2-[(4-methylsulfanylbenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 7565328
ethyl 2-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 16566740
ethyl 2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 16566735
ethyl 2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 55492693
ethyl 2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 4111374
ethyl 2-[(1-ethylbenzotriazole-5-carbonyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 16566755
ethyl 2-(1,3-benzothiazole-6-carbonylamino)-4-phenyl-1,3-thiazole-5-carboxylate
CID 5048536
ethyl 2-(3-benzamidopropanoylamino)-4-phenyl-1,3-thiazole-5-carboxylate
CID 16566727
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 24687299
ethyl 2-[(2-cyanoacetyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 110444905
ethyl 2-[[4-(difluoromethoxy)-3-ethoxybenzoyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 16566760

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate (CID 2325473) is ethyl 2-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)nc1-c1ccccc1.
What is the InChIKey of ethyl 2-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate?
The InChIKey is KGYYWENZXLVLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O5S/c1-2-31-22(30)20-19(14-6-4-3-5-7-14)24-23(32-20)25-21(29)15-8-10-16(11-9-15)26-17(27)12-13-18(26)28/h3-11H,2,12-13H2,1H3,(H,24,25,29).
What are the key properties of ethyl 2-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate?
ethyl 2-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate has a molecular weight of 449.49 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 2325473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).