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

C21H21N5O2S — CID 170185332

About 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(5-ethyl-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-(5-ethyl-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 170185332) has the molecular formula C21H21N5O2S and a molecular weight of 407.50 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(5-ethyl-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-(5-ethyl-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide
• PubChem CID: 170185332
• Molecular Formula: C21H21N5O2S
• Molecular Weight: 407.50 g/mol
• Exact Mass: 407.14
• IUPAC Name: 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(5-ethyl-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide
• SMILES: CCc1ccc2c(c1)C(=O)N(C(C(=O)Nc1nccs1)c1ncn3c1CCC3)C2
• InChI: InChI=1S/C21H21N5O2S/c1-2-13-5-6-14-11-26(20(28)15(14)10-13)18(19(27)24-21-22-7-9-29-21)17-16-4-3-8-25(16)12-23-17/h5-7,9-10,12,18H,2-4,8,11H2,1H3,(H,22,24,27)
• InChIKey: MKCXPDZMZRTCPV-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.50
LogP ≤ 5	3.18
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-(5-ethyl-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-(5-ethyl-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 170185332) is 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(5-ethyl-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-(5-ethyl-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-(5-ethyl-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide is CCc1ccc2c(c1)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-(5-ethyl-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide?

The InChIKey is MKCXPDZMZRTCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2S/c1-2-13-5-6-14-11-26(20(28)15(14)10-13)18(19(27)24-21-22-7-9-29-21)17-16-4-3-8-25(16)12-23-17/h5-7,9-10,12,18H,2-4,8,11H2,1H3,(H,22,24,27).

What are the key properties of 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(5-ethyl-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-(5-ethyl-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 407.50 g/mol, XLogP of 3.18, 5 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-(5-ethyl-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 170185332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).