2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(4-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide

C20H18FN5O2S — CID 156798559

About 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(4-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide

2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(4-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 156798559) has the molecular formula C20H18FN5O2S and a molecular weight of 411.46 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(4-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(4-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide
• PubChem CID: 156798559
• Molecular Formula: C20H18FN5O2S
• Molecular Weight: 411.46 g/mol
• Exact Mass: 411.12
• IUPAC Name: 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(4-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide
• SMILES: Cc1ccc2c(c1F)C(=O)N(C(C(=O)Nc1nccs1)c1ncn3c1CCC3)C2
• InChI: InChI=1S/C20H18FN5O2S/c1-11-4-5-12-9-26(19(28)14(12)15(11)21)17(18(27)24-20-22-6-8-29-20)16-13-3-2-7-25(13)10-23-16/h4-6,8,10,17H,2-3,7,9H2,1H3,(H,22,24,27)
• InChIKey: JTFBAECDNBUNJO-UHFFFAOYSA-N
• XLogP: 3.07
• 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	411.46
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(4-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide?

The IUPAC name of 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(4-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 156798559) is 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(4-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(4-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(4-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide is Cc1ccc2c(c1F)C(=O)N(C(C(=O)Nc1nccs1)c1ncn3c1CCC3)C2.

What is the InChIKey of 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(4-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide?

The InChIKey is JTFBAECDNBUNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2S/c1-11-4-5-12-9-26(19(28)14(12)15(11)21)17(18(27)24-20-22-6-8-29-20)16-13-3-2-7-25(13)10-23-16/h4-6,8,10,17H,2-3,7,9H2,1H3,(H,22,24,27).

What are the key properties of 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(4-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide?

2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(4-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 411.46 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(4-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 156798559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).