2-(5-bromo-7-fluoro-3-oxo-1H-isoindol-2-yl)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide

C19H15BrFN5O2S — CID 153380873

About 2-(5-bromo-7-fluoro-3-oxo-1H-isoindol-2-yl)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide

2-(5-bromo-7-fluoro-3-oxo-1H-isoindol-2-yl)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 153380873) has the molecular formula C19H15BrFN5O2S and a molecular weight of 476.33 g/mol. Its IUPAC name is 2-(5-bromo-7-fluoro-3-oxo-1H-isoindol-2-yl)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-(5-bromo-7-fluoro-3-oxo-1H-isoindol-2-yl)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
• PubChem CID: 153380873
• Molecular Formula: C19H15BrFN5O2S
• Molecular Weight: 476.33 g/mol
• Exact Mass: 475.01
• IUPAC Name: 2-(5-bromo-7-fluoro-3-oxo-1H-isoindol-2-yl)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
• SMILES: O=C(Nc1nccs1)C(c1ncn2c1CCC2)N1Cc2c(F)cc(Br)cc2C1=O
• InChI: InChI=1S/C19H15BrFN5O2S/c20-10-6-11-12(13(21)7-10)8-26(18(11)28)16(17(27)24-19-22-3-5-29-19)15-14-2-1-4-25(14)9-23-15/h3,5-7,9,16H,1-2,4,8H2,(H,22,24,27)
• InChIKey: ZEKNKJQPSMLPBZ-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.33
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-7-fluoro-3-oxo-1H-isoindol-2-yl)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?

The IUPAC name of 2-(5-bromo-7-fluoro-3-oxo-1H-isoindol-2-yl)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 153380873) is 2-(5-bromo-7-fluoro-3-oxo-1H-isoindol-2-yl)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for 2-(5-bromo-7-fluoro-3-oxo-1H-isoindol-2-yl)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 2-(5-bromo-7-fluoro-3-oxo-1H-isoindol-2-yl)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide is O=C(Nc1nccs1)C(c1ncn2c1CCC2)N1Cc2c(F)cc(Br)cc2C1=O.

What is the InChIKey of 2-(5-bromo-7-fluoro-3-oxo-1H-isoindol-2-yl)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?

The InChIKey is ZEKNKJQPSMLPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrFN5O2S/c20-10-6-11-12(13(21)7-10)8-26(18(11)28)16(17(27)24-19-22-3-5-29-19)15-14-2-1-4-25(14)9-23-15/h3,5-7,9,16H,1-2,4,8H2,(H,22,24,27).

What are the key properties of 2-(5-bromo-7-fluoro-3-oxo-1H-isoindol-2-yl)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?

2-(5-bromo-7-fluoro-3-oxo-1H-isoindol-2-yl)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 476.33 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-bromo-7-fluoro-3-oxo-1H-isoindol-2-yl)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 153380873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).