2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione

C14H12N2O2S — CID 1473461

IUPAC2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione
SMILESCc1nc(CCN2C(=O)c3ccccc3C2=O)cs1
InChIInChI=1S/C14H12N2O2S/c1-9-15-10(8-19-9)6-7-16-13(17)11-4-2-3-5-12(11)14(16)18/h2-5,8H,6-7H2,1H3
InChIKeyWUDSUDRWMVSFJT-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.29
Rot. Bonds3

About 2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione

2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione (PubChem CID 1473461) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione
PubChem CID1473461
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione
SMILESCc1nc(CCN2C(=O)c3ccccc3C2=O)cs1
InChIInChI=1S/C14H12N2O2S/c1-9-15-10(8-19-9)6-7-16-13(17)11-4-2-3-5-12(11)14(16)18/h2-5,8H,6-7H2,1H3
InChIKeyWUDSUDRWMVSFJT-UHFFFAOYSA-N
XLogP2.29
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione (CID 1473461) is 2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione is Cc1nc(CCN2C(=O)c3ccccc3C2=O)cs1.
What is the InChIKey of 2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione?
The InChIKey is WUDSUDRWMVSFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-9-15-10(8-19-9)6-7-16-13(17)11-4-2-3-5-12(11)14(16)18/h2-5,8H,6-7H2,1H3.
What are the key properties of 2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione?
2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione has a molecular weight of 272.33 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 1473461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).