2-[1-[2-[3-(4-ethoxyphenoxy)azetidin-1-yl]-1,3-thiazol-5-yl]ethyl]isoindole-1,3-dione

C24H23N3O4S — CID 144608601

IUPAC2-[1-[2-[3-(4-ethoxyphenoxy)azetidin-1-yl]-1,3-thiazol-5-yl]ethyl]isoindole-1,3-dione
SMILESCCOc1ccc(OC2CN(c3ncc(C(C)N4C(=O)c5ccccc5C4=O)s3)C2)cc1
InChIInChI=1S/C24H23N3O4S/c1-3-30-16-8-10-17(11-9-16)31-18-13-26(14-18)24-25-12-21(32-24)15(2)27-22(28)19-6-4-5-7-20(19)23(27)29/h4-12,15,18H,3,13-14H2,1-2H3
InChIKeyASWFJFSSRMSAHY-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.17
Rot. Bonds7

About 2-[1-[2-[3-(4-ethoxyphenoxy)azetidin-1-yl]-1,3-thiazol-5-yl]ethyl]isoindole-1,3-dione

2-[1-[2-[3-(4-ethoxyphenoxy)azetidin-1-yl]-1,3-thiazol-5-yl]ethyl]isoindole-1,3-dione (PubChem CID 144608601) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is 2-[1-[2-[3-(4-ethoxyphenoxy)azetidin-1-yl]-1,3-thiazol-5-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-[2-[3-(4-ethoxyphenoxy)azetidin-1-yl]-1,3-thiazol-5-yl]ethyl]isoindole-1,3-dione
PubChem CID144608601
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC Name2-[1-[2-[3-(4-ethoxyphenoxy)azetidin-1-yl]-1,3-thiazol-5-yl]ethyl]isoindole-1,3-dione
SMILESCCOc1ccc(OC2CN(c3ncc(C(C)N4C(=O)c5ccccc5C4=O)s3)C2)cc1
InChIInChI=1S/C24H23N3O4S/c1-3-30-16-8-10-17(11-9-16)31-18-13-26(14-18)24-25-12-21(32-24)15(2)27-22(28)19-6-4-5-7-20(19)23(27)29/h4-12,15,18H,3,13-14H2,1-2H3
InChIKeyASWFJFSSRMSAHY-UHFFFAOYSA-N
XLogP4.17
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-[1-[2-[3-(4-ethoxyphenoxy)azetidin-1-yl]-1,3-thiazol-5-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[1-[2-[3-(4-ethoxyphenoxy)azetidin-1-yl]-1,3-thiazol-5-yl]ethyl]isoindole-1,3-dione (CID 144608601) is 2-[1-[2-[3-(4-ethoxyphenoxy)azetidin-1-yl]-1,3-thiazol-5-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-[2-[3-(4-ethoxyphenoxy)azetidin-1-yl]-1,3-thiazol-5-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-[2-[3-(4-ethoxyphenoxy)azetidin-1-yl]-1,3-thiazol-5-yl]ethyl]isoindole-1,3-dione is CCOc1ccc(OC2CN(c3ncc(C(C)N4C(=O)c5ccccc5C4=O)s3)C2)cc1.
What is the InChIKey of 2-[1-[2-[3-(4-ethoxyphenoxy)azetidin-1-yl]-1,3-thiazol-5-yl]ethyl]isoindole-1,3-dione?
The InChIKey is ASWFJFSSRMSAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-3-30-16-8-10-17(11-9-16)31-18-13-26(14-18)24-25-12-21(32-24)15(2)27-22(28)19-6-4-5-7-20(19)23(27)29/h4-12,15,18H,3,13-14H2,1-2H3.
What are the key properties of 2-[1-[2-[3-(4-ethoxyphenoxy)azetidin-1-yl]-1,3-thiazol-5-yl]ethyl]isoindole-1,3-dione?
2-[1-[2-[3-(4-ethoxyphenoxy)azetidin-1-yl]-1,3-thiazol-5-yl]ethyl]isoindole-1,3-dione has a molecular weight of 449.53 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[3-(4-ethoxyphenoxy)azetidin-1-yl]-1,3-thiazol-5-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 144608601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).