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

C20H16N2O3S — CID 1497775

IUPAC2-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]isoindole-1,3-dione
SMILESCOc1ccc(-c2csc(CCN3C(=O)c4ccccc4C3=O)n2)cc1
InChIInChI=1S/C20H16N2O3S/c1-25-14-8-6-13(7-9-14)17-12-26-18(21-17)10-11-22-19(23)15-4-2-3-5-16(15)20(22)24/h2-9,12H,10-11H2,1H3
InChIKeyNJPGYVJMFLVTBP-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.66
Rot. Bonds5

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

2-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]isoindole-1,3-dione (PubChem CID 1497775) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is 2-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]isoindole-1,3-dione
PubChem CID1497775
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC Name2-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]isoindole-1,3-dione
SMILESCOc1ccc(-c2csc(CCN3C(=O)c4ccccc4C3=O)n2)cc1
InChIInChI=1S/C20H16N2O3S/c1-25-14-8-6-13(7-9-14)17-12-26-18(21-17)10-11-22-19(23)15-4-2-3-5-16(15)20(22)24/h2-9,12H,10-11H2,1H3
InChIKeyNJPGYVJMFLVTBP-UHFFFAOYSA-N
XLogP3.66
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.66
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-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]isoindole-1,3-dione (CID 1497775) is 2-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]isoindole-1,3-dione is COc1ccc(-c2csc(CCN3C(=O)c4ccccc4C3=O)n2)cc1.
What is the InChIKey of 2-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]isoindole-1,3-dione?
The InChIKey is NJPGYVJMFLVTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c1-25-14-8-6-13(7-9-14)17-12-26-18(21-17)10-11-22-19(23)15-4-2-3-5-16(15)20(22)24/h2-9,12H,10-11H2,1H3.
What are the key properties of 2-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]isoindole-1,3-dione?
2-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]isoindole-1,3-dione has a molecular weight of 364.43 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 1497775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).