5,6-dichloro-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione

C17H9Cl2N3O2S — CID 78834850

IUPAC5,6-dichloro-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione
SMILESO=C1c2cc(Cl)c(Cl)cc2C(=O)N1Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C17H9Cl2N3O2S/c18-12-5-10-11(6-13(12)19)17(24)22(16(10)23)7-9-8-25-15(21-9)14-3-1-2-4-20-14/h1-6,8H,7H2
InChIKeyWGDCJMDEUYFRSP-UHFFFAOYSA-N
MW390.25 g/mol
LogP4.31
Rot. Bonds3

About 5,6-dichloro-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione

5,6-dichloro-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione (PubChem CID 78834850) has the molecular formula C17H9Cl2N3O2S and a molecular weight of 390.25 g/mol. Its IUPAC name is 5,6-dichloro-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5,6-dichloro-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione
PubChem CID78834850
Molecular FormulaC17H9Cl2N3O2S
Molecular Weight390.25 g/mol
Exact Mass388.98
IUPAC Name5,6-dichloro-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione
SMILESO=C1c2cc(Cl)c(Cl)cc2C(=O)N1Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C17H9Cl2N3O2S/c18-12-5-10-11(6-13(12)19)17(24)22(16(10)23)7-9-8-25-15(21-9)14-3-1-2-4-20-14/h1-6,8H,7H2
InChIKeyWGDCJMDEUYFRSP-UHFFFAOYSA-N
XLogP4.31
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.25
LogP ≤ 54.31
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 5,6-dichloro-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione?
The IUPAC name of 5,6-dichloro-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione (CID 78834850) is 5,6-dichloro-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 5,6-dichloro-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione?
The canonical SMILES for 5,6-dichloro-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione is O=C1c2cc(Cl)c(Cl)cc2C(=O)N1Cc1csc(-c2ccccn2)n1.
What is the InChIKey of 5,6-dichloro-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione?
The InChIKey is WGDCJMDEUYFRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl2N3O2S/c18-12-5-10-11(6-13(12)19)17(24)22(16(10)23)7-9-8-25-15(21-9)14-3-1-2-4-20-14/h1-6,8H,7H2.
What are the key properties of 5,6-dichloro-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione?
5,6-dichloro-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione has a molecular weight of 390.25 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 78834850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).