2-(4-thiophen-2-yl-1,3-thiazol-2-yl)isoindole-1,3-dione

C15H8N2O2S2 — CID 2220414

IUPAC2-(4-thiophen-2-yl-1,3-thiazol-2-yl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1nc(-c2cccs2)cs1
InChIInChI=1S/C15H8N2O2S2/c18-13-9-4-1-2-5-10(9)14(19)17(13)15-16-11(8-21-15)12-6-3-7-20-12/h1-8H
InChIKeyBXUWNKLFWGQUJH-UHFFFAOYSA-N
MW312.38 g/mol
LogP3.67
Rot. Bonds2

About 2-(4-thiophen-2-yl-1,3-thiazol-2-yl)isoindole-1,3-dione

2-(4-thiophen-2-yl-1,3-thiazol-2-yl)isoindole-1,3-dione (PubChem CID 2220414) has the molecular formula C15H8N2O2S2 and a molecular weight of 312.38 g/mol. Its IUPAC name is 2-(4-thiophen-2-yl-1,3-thiazol-2-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(4-thiophen-2-yl-1,3-thiazol-2-yl)isoindole-1,3-dione
PubChem CID2220414
Molecular FormulaC15H8N2O2S2
Molecular Weight312.38 g/mol
Exact Mass312.00
IUPAC Name2-(4-thiophen-2-yl-1,3-thiazol-2-yl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1nc(-c2cccs2)cs1
InChIInChI=1S/C15H8N2O2S2/c18-13-9-4-1-2-5-10(9)14(19)17(13)15-16-11(8-21-15)12-6-3-7-20-12/h1-8H
InChIKeyBXUWNKLFWGQUJH-UHFFFAOYSA-N
XLogP3.67
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(4-thiophen-2-yl-1,3-thiazol-2-yl)isoindole-1,3-dione?
The IUPAC name of 2-(4-thiophen-2-yl-1,3-thiazol-2-yl)isoindole-1,3-dione (CID 2220414) is 2-(4-thiophen-2-yl-1,3-thiazol-2-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(4-thiophen-2-yl-1,3-thiazol-2-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(4-thiophen-2-yl-1,3-thiazol-2-yl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1nc(-c2cccs2)cs1.
What is the InChIKey of 2-(4-thiophen-2-yl-1,3-thiazol-2-yl)isoindole-1,3-dione?
The InChIKey is BXUWNKLFWGQUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8N2O2S2/c18-13-9-4-1-2-5-10(9)14(19)17(13)15-16-11(8-21-15)12-6-3-7-20-12/h1-8H.
What are the key properties of 2-(4-thiophen-2-yl-1,3-thiazol-2-yl)isoindole-1,3-dione?
2-(4-thiophen-2-yl-1,3-thiazol-2-yl)isoindole-1,3-dione has a molecular weight of 312.38 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-thiophen-2-yl-1,3-thiazol-2-yl)isoindole-1,3-dione is sourced from PubChem (CID 2220414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).