2-(5-fluoro-2-methoxyphenyl)-2-(7-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide

C21H17F2N3O3S — CID 155431842

IUPAC2-(5-fluoro-2-methoxyphenyl)-2-(7-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(F)cc1C(C(=O)Nc1nccs1)N1Cc2c(F)cc(C)cc2C1=O
InChIInChI=1S/C21H17F2N3O3S/c1-11-7-13-15(16(23)8-11)10-26(20(13)28)18(19(27)25-21-24-5-6-30-21)14-9-12(22)3-4-17(14)29-2/h3-9,18H,10H2,1-2H3,(H,24,25,27)
InChIKeyIZXHBHRHCOFOSS-UHFFFAOYSA-N
MW429.45 g/mol
LogP4.07
Rot. Bonds5

About 2-(5-fluoro-2-methoxyphenyl)-2-(7-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide

2-(5-fluoro-2-methoxyphenyl)-2-(7-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 155431842) has the molecular formula C21H17F2N3O3S and a molecular weight of 429.45 g/mol. Its IUPAC name is 2-(5-fluoro-2-methoxyphenyl)-2-(7-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-methoxyphenyl)-2-(7-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID155431842
Molecular FormulaC21H17F2N3O3S
Molecular Weight429.45 g/mol
Exact Mass429.10
IUPAC Name2-(5-fluoro-2-methoxyphenyl)-2-(7-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(F)cc1C(C(=O)Nc1nccs1)N1Cc2c(F)cc(C)cc2C1=O
InChIInChI=1S/C21H17F2N3O3S/c1-11-7-13-15(16(23)8-11)10-26(20(13)28)18(19(27)25-21-24-5-6-30-21)14-9-12(22)3-4-17(14)29-2/h3-9,18H,10H2,1-2H3,(H,24,25,27)
InChIKeyIZXHBHRHCOFOSS-UHFFFAOYSA-N
XLogP4.07
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-2-(7-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-2-(7-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 155431842) is 2-(5-fluoro-2-methoxyphenyl)-2-(7-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(5-fluoro-2-methoxyphenyl)-2-(7-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(5-fluoro-2-methoxyphenyl)-2-(7-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide is COc1ccc(F)cc1C(C(=O)Nc1nccs1)N1Cc2c(F)cc(C)cc2C1=O.
What is the InChIKey of 2-(5-fluoro-2-methoxyphenyl)-2-(7-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is IZXHBHRHCOFOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O3S/c1-11-7-13-15(16(23)8-11)10-26(20(13)28)18(19(27)25-21-24-5-6-30-21)14-9-12(22)3-4-17(14)29-2/h3-9,18H,10H2,1-2H3,(H,24,25,27).
What are the key properties of 2-(5-fluoro-2-methoxyphenyl)-2-(7-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide?
2-(5-fluoro-2-methoxyphenyl)-2-(7-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 429.45 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methoxyphenyl)-2-(7-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 155431842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).