N-(1,3-dioxoisoindol-2-yl)-1,3-dioxo-2-(1,3-thiazol-2-yl)isoindole-5-carboxamide

C20H10N4O5S — CID 554603

IUPACN-(1,3-dioxoisoindol-2-yl)-1,3-dioxo-2-(1,3-thiazol-2-yl)isoindole-5-carboxamide
SMILESO=C(NN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)C(=O)N(c1nccs1)C2=O
InChIInChI=1S/C20H10N4O5S/c25-15(22-24-18(28)11-3-1-2-4-12(11)19(24)29)10-5-6-13-14(9-10)17(27)23(16(13)26)20-21-7-8-30-20/h1-9H,(H,22,25)
InChIKeyIYYJTUBPNXQNKN-UHFFFAOYSA-N
MW418.39 g/mol
LogP1.88
Rot. Bonds3

About N-(1,3-dioxoisoindol-2-yl)-1,3-dioxo-2-(1,3-thiazol-2-yl)isoindole-5-carboxamide

N-(1,3-dioxoisoindol-2-yl)-1,3-dioxo-2-(1,3-thiazol-2-yl)isoindole-5-carboxamide (PubChem CID 554603) has the molecular formula C20H10N4O5S and a molecular weight of 418.39 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-2-yl)-1,3-dioxo-2-(1,3-thiazol-2-yl)isoindole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-2-yl)-1,3-dioxo-2-(1,3-thiazol-2-yl)isoindole-5-carboxamide
PubChem CID554603
Molecular FormulaC20H10N4O5S
Molecular Weight418.39 g/mol
Exact Mass418.04
IUPAC NameN-(1,3-dioxoisoindol-2-yl)-1,3-dioxo-2-(1,3-thiazol-2-yl)isoindole-5-carboxamide
SMILESO=C(NN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)C(=O)N(c1nccs1)C2=O
InChIInChI=1S/C20H10N4O5S/c25-15(22-24-18(28)11-3-1-2-4-12(11)19(24)29)10-5-6-13-14(9-10)17(27)23(16(13)26)20-21-7-8-30-20/h1-9H,(H,22,25)
InChIKeyIYYJTUBPNXQNKN-UHFFFAOYSA-N
XLogP1.88
TPSA116.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-2-yl)-1,3-dioxo-2-(1,3-thiazol-2-yl)isoindole-5-carboxamide?
The IUPAC name of N-(1,3-dioxoisoindol-2-yl)-1,3-dioxo-2-(1,3-thiazol-2-yl)isoindole-5-carboxamide (CID 554603) is N-(1,3-dioxoisoindol-2-yl)-1,3-dioxo-2-(1,3-thiazol-2-yl)isoindole-5-carboxamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-2-yl)-1,3-dioxo-2-(1,3-thiazol-2-yl)isoindole-5-carboxamide?
The canonical SMILES for N-(1,3-dioxoisoindol-2-yl)-1,3-dioxo-2-(1,3-thiazol-2-yl)isoindole-5-carboxamide is O=C(NN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)C(=O)N(c1nccs1)C2=O.
What is the InChIKey of N-(1,3-dioxoisoindol-2-yl)-1,3-dioxo-2-(1,3-thiazol-2-yl)isoindole-5-carboxamide?
The InChIKey is IYYJTUBPNXQNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10N4O5S/c25-15(22-24-18(28)11-3-1-2-4-12(11)19(24)29)10-5-6-13-14(9-10)17(27)23(16(13)26)20-21-7-8-30-20/h1-9H,(H,22,25).
What are the key properties of N-(1,3-dioxoisoindol-2-yl)-1,3-dioxo-2-(1,3-thiazol-2-yl)isoindole-5-carboxamide?
N-(1,3-dioxoisoindol-2-yl)-1,3-dioxo-2-(1,3-thiazol-2-yl)isoindole-5-carboxamide has a molecular weight of 418.39 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-2-yl)-1,3-dioxo-2-(1,3-thiazol-2-yl)isoindole-5-carboxamide is sourced from PubChem (CID 554603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).