2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate

C18H18N2O4S — CID 78804194

IUPAC2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate
SMILESCc1ncsc1CCOC(=O)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C18H18N2O4S/c1-12-15(25-11-19-12)8-9-24-18(23)14-4-2-13(3-5-14)10-20-16(21)6-7-17(20)22/h2-5,11H,6-10H2,1H3
InChIKeyNGTSJJUIBMRJTK-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.50
Rot. Bonds6

About 2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate

2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate (PubChem CID 78804194) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate
PubChem CID78804194
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate
SMILESCc1ncsc1CCOC(=O)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C18H18N2O4S/c1-12-15(25-11-19-12)8-9-24-18(23)14-4-2-13(3-5-14)10-20-16(21)6-7-17(20)22/h2-5,11H,6-10H2,1H3
InChIKeyNGTSJJUIBMRJTK-UHFFFAOYSA-N
XLogP2.50
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-(methylsulfanylmethyl)benzoate
CID 86917963
2-(4-methyl-1,3-thiazol-5-yl)ethyl 1-benzylpyrazole-4-carboxylate
CID 134044519
2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-ethoxy-3-methylbenzoate
CID 86939183
(2-amino-2-oxoethyl) 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate
CID 32939173
1-(4-ethylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone
CID 62031543
2-(4-methyl-1,3-thiazol-5-yl)ethyl cyclopropanecarboxylate
CID 11401580
2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-methylpyridine-3-carboxylate
CID 75376218
1-(4-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone
CID 62029259
2-(4-methyl-1,3-thiazol-5-yl)ethyl 3,4-dimethyl-5-(methylsulfamoyl)benzoate
CID 78838545
1-(3,4-dichlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone
CID 62030972
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate
CID 27703777
O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate?
The IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate (CID 78804194) is 2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate is Cc1ncsc1CCOC(=O)c1ccc(CN2C(=O)CCC2=O)cc1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate?
The InChIKey is NGTSJJUIBMRJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-12-15(25-11-19-12)8-9-24-18(23)14-4-2-13(3-5-14)10-20-16(21)6-7-17(20)22/h2-5,11H,6-10H2,1H3.
What are the key properties of 2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate?
2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate has a molecular weight of 358.42 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate is sourced from PubChem (CID 78804194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).