2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-(1,3-dioxoisoindol-2-yl)propanoate

C17H16N2O5S — CID 46606374

IUPAC2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-(1,3-dioxoisoindol-2-yl)propanoate
SMILESCc1csc(=O)n1CCOC(=O)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H16N2O5S/c1-11-10-25-17(23)18(11)8-9-24-14(20)6-7-19-15(21)12-4-2-3-5-13(12)16(19)22/h2-5,10H,6-9H2,1H3
InChIKeyYEMRLWLGXCNCRY-UHFFFAOYSA-N
MW360.39 g/mol
LogP1.45
Rot. Bonds6

About 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-(1,3-dioxoisoindol-2-yl)propanoate

2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-(1,3-dioxoisoindol-2-yl)propanoate (PubChem CID 46606374) has the molecular formula C17H16N2O5S and a molecular weight of 360.39 g/mol. Its IUPAC name is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-(1,3-dioxoisoindol-2-yl)propanoate.

Molecular Properties

Compound Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-(1,3-dioxoisoindol-2-yl)propanoate
PubChem CID46606374
Molecular FormulaC17H16N2O5S
Molecular Weight360.39 g/mol
Exact Mass360.08
IUPAC Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-(1,3-dioxoisoindol-2-yl)propanoate
SMILESCc1csc(=O)n1CCOC(=O)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H16N2O5S/c1-11-10-25-17(23)18(11)8-9-24-14(20)6-7-19-15(21)12-4-2-3-5-13(12)16(19)22/h2-5,10H,6-9H2,1H3
InChIKeyYEMRLWLGXCNCRY-UHFFFAOYSA-N
XLogP1.45
TPSA85.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 46608614
3-(4-chlorophenoxy)propyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 55568503
ethyl 18-(1,3-dioxoisoindol-2-yl)octadecanoate
CID 70138302
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)benzoate
CID 46827770
[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 9440946
(4-aminoquinazolin-2-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 27923645
4-methyl-3-(3-oxo-3-phenylpropyl)-1,3-thiazol-2-one
CID 116691894
2-(1,3-dioxoisoindol-2-yl)ethyl 3,3-dimethylbutanoate
CID 52887662
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 60669041
(2,6-dichlorophenyl)methyl 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 3379267
3-(1,3-dioxoisoindol-2-yl)propyl 3-(4-methylphenyl)propanoate
CID 110495074
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 1H-indole-3-carboxylate
CID 46609312

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-(1,3-dioxoisoindol-2-yl)propanoate?
The IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-(1,3-dioxoisoindol-2-yl)propanoate (CID 46606374) is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-(1,3-dioxoisoindol-2-yl)propanoate.
What is the SMILES notation for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-(1,3-dioxoisoindol-2-yl)propanoate?
The canonical SMILES for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-(1,3-dioxoisoindol-2-yl)propanoate is Cc1csc(=O)n1CCOC(=O)CCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-(1,3-dioxoisoindol-2-yl)propanoate?
The InChIKey is YEMRLWLGXCNCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5S/c1-11-10-25-17(23)18(11)8-9-24-14(20)6-7-19-15(21)12-4-2-3-5-13(12)16(19)22/h2-5,10H,6-9H2,1H3.
What are the key properties of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-(1,3-dioxoisoindol-2-yl)propanoate?
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-(1,3-dioxoisoindol-2-yl)propanoate has a molecular weight of 360.39 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-(1,3-dioxoisoindol-2-yl)propanoate is sourced from PubChem (CID 46606374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).