4,5-dimethoxy-2-(4-phenyl-1,3-thiazol-2-yl)isoindole-1,3-dione

C19H14N2O4S — CID 1359686

IUPAC4,5-dimethoxy-2-(4-phenyl-1,3-thiazol-2-yl)isoindole-1,3-dione
SMILESCOc1ccc2c(c1OC)C(=O)N(c1nc(-c3ccccc3)cs1)C2=O
InChIInChI=1S/C19H14N2O4S/c1-24-14-9-8-12-15(16(14)25-2)18(23)21(17(12)22)19-20-13(10-26-19)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyBDDQFSJMAVODMU-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.63
Rot. Bonds4

About 4,5-dimethoxy-2-(4-phenyl-1,3-thiazol-2-yl)isoindole-1,3-dione

4,5-dimethoxy-2-(4-phenyl-1,3-thiazol-2-yl)isoindole-1,3-dione (PubChem CID 1359686) has the molecular formula C19H14N2O4S and a molecular weight of 366.40 g/mol. Its IUPAC name is 4,5-dimethoxy-2-(4-phenyl-1,3-thiazol-2-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4,5-dimethoxy-2-(4-phenyl-1,3-thiazol-2-yl)isoindole-1,3-dione
PubChem CID1359686
Molecular FormulaC19H14N2O4S
Molecular Weight366.40 g/mol
Exact Mass366.07
IUPAC Name4,5-dimethoxy-2-(4-phenyl-1,3-thiazol-2-yl)isoindole-1,3-dione
SMILESCOc1ccc2c(c1OC)C(=O)N(c1nc(-c3ccccc3)cs1)C2=O
InChIInChI=1S/C19H14N2O4S/c1-24-14-9-8-12-15(16(14)25-2)18(23)21(17(12)22)19-20-13(10-26-19)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyBDDQFSJMAVODMU-UHFFFAOYSA-N
XLogP3.63
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.63
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 4,5-dimethoxy-2-(4-phenyl-1,3-thiazol-2-yl)isoindole-1,3-dione?
The IUPAC name of 4,5-dimethoxy-2-(4-phenyl-1,3-thiazol-2-yl)isoindole-1,3-dione (CID 1359686) is 4,5-dimethoxy-2-(4-phenyl-1,3-thiazol-2-yl)isoindole-1,3-dione.
What is the SMILES notation for 4,5-dimethoxy-2-(4-phenyl-1,3-thiazol-2-yl)isoindole-1,3-dione?
The canonical SMILES for 4,5-dimethoxy-2-(4-phenyl-1,3-thiazol-2-yl)isoindole-1,3-dione is COc1ccc2c(c1OC)C(=O)N(c1nc(-c3ccccc3)cs1)C2=O.
What is the InChIKey of 4,5-dimethoxy-2-(4-phenyl-1,3-thiazol-2-yl)isoindole-1,3-dione?
The InChIKey is BDDQFSJMAVODMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4S/c1-24-14-9-8-12-15(16(14)25-2)18(23)21(17(12)22)19-20-13(10-26-19)11-6-4-3-5-7-11/h3-10H,1-2H3.
What are the key properties of 4,5-dimethoxy-2-(4-phenyl-1,3-thiazol-2-yl)isoindole-1,3-dione?
4,5-dimethoxy-2-(4-phenyl-1,3-thiazol-2-yl)isoindole-1,3-dione has a molecular weight of 366.40 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-(4-phenyl-1,3-thiazol-2-yl)isoindole-1,3-dione is sourced from PubChem (CID 1359686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).