2-(1,3-dioxoisoindol-2-yl)ethyl 3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate

C18H18N2O5S — CID 86809250

IUPAC2-(1,3-dioxoisoindol-2-yl)ethyl 3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate
SMILESO=C(OCCN1C(=O)c2ccccc2C1=O)C1CSCN1C(=O)C1CC1
InChIInChI=1S/C18H18N2O5S/c21-15(11-5-6-11)20-10-26-9-14(20)18(24)25-8-7-19-16(22)12-3-1-2-4-13(12)17(19)23/h1-4,11,14H,5-10H2
InChIKeyWRTGAWZRFPEGKX-UHFFFAOYSA-N
MW374.42 g/mol
LogP1.14
Rot. Bonds5

About 2-(1,3-dioxoisoindol-2-yl)ethyl 3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate

2-(1,3-dioxoisoindol-2-yl)ethyl 3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate (PubChem CID 86809250) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)ethyl 3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)ethyl 3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate
PubChem CID86809250
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC Name2-(1,3-dioxoisoindol-2-yl)ethyl 3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate
SMILESO=C(OCCN1C(=O)c2ccccc2C1=O)C1CSCN1C(=O)C1CC1
InChIInChI=1S/C18H18N2O5S/c21-15(11-5-6-11)20-10-26-9-14(20)18(24)25-8-7-19-16(22)12-3-1-2-4-13(12)17(19)23/h1-4,11,14H,5-10H2
InChIKeyWRTGAWZRFPEGKX-UHFFFAOYSA-N
XLogP1.14
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl 3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl 3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate (CID 86809250) is 2-(1,3-dioxoisoindol-2-yl)ethyl 3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)ethyl 3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)ethyl 3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate is O=C(OCCN1C(=O)c2ccccc2C1=O)C1CSCN1C(=O)C1CC1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)ethyl 3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate?
The InChIKey is WRTGAWZRFPEGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S/c21-15(11-5-6-11)20-10-26-9-14(20)18(24)25-8-7-19-16(22)12-3-1-2-4-13(12)17(19)23/h1-4,11,14H,5-10H2.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)ethyl 3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate?
2-(1,3-dioxoisoindol-2-yl)ethyl 3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate has a molecular weight of 374.42 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)ethyl 3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 86809250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).