2-[7-(difluoromethyl)-5-[4-[(1R,2S)-2-fluorocyclohexyl]phenyl]-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-[7-(difluoromethyl)-5-[4-[(1S,2R)-2-fluorocyclohexyl]phenyl]-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

C64H60F6N10O4S2 — CID 167659134

About 2-[7-(difluoromethyl)-5-[4-[(1R,2S)-2-fluorocyclohexyl]phenyl]-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-[7-(difluoromethyl)-5-[4-[(1S,2R)-2-fluorocyclohexyl]phenyl]-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-[7-(difluoromethyl)-5-[4-[(1R,2S)-2-fluorocyclohexyl]phenyl]-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-[7-(difluoromethyl)-5-[4-[(1S,2R)-2-fluorocyclohexyl]phenyl]-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 167659134) has the molecular formula C64H60F6N10O4S2 and a molecular weight of 1211.37 g/mol. Its IUPAC name is 2-[7-(difluoromethyl)-5-[4-[(1R,2S)-2-fluorocyclohexyl]phenyl]-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-[7-(difluoromethyl)-5-[4-[(1S,2R)-2-fluorocyclohexyl]phenyl]-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-[7-(difluoromethyl)-5-[4-[(1R,2S)-2-fluorocyclohexyl]phenyl]-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-[7-(difluoromethyl)-5-[4-[(1S,2R)-2-fluorocyclohexyl]phenyl]-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: 167659134
• Molecular Formula: C64H60F6N10O4S2
• Molecular Weight: 1211.37 g/mol
• Exact Mass: 1210.41
• IUPAC Name: 2-[7-(difluoromethyl)-5-[4-[(1R,2S)-2-fluorocyclohexyl]phenyl]-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-[7-(difluoromethyl)-5-[4-[(1S,2R)-2-fluorocyclohexyl]phenyl]-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(cc(-c3ccc([C@@H]4CCCC[C@H]4F)cc3)cc2C(F)F)C1=O.O=C(Nc1nccs1)C(c1ncn2c1CCC2)N1Cc2c(cc(-c3ccc([C@H]4CCCC[C@@H]4F)cc3)cc2C(F)F)C1=O
• InChI: InChI=1S/2C32H30F3N5O2S/c2*33-25-5-2-1-4-21(25)19-9-7-18(8-10-19)20-14-22(29(34)35)24-16-40(31(42)23(24)15-20)28(30(41)38-32-36-11-13-43-32)27-26-6-3-12-39(26)17-37-27/h2*7-11,13-15,17,21,25,28-29H,1-6,12,16H2,(H,36,38,41)/t2*21-,25+,28?/m10/s1
• InChIKey: RRVHFKLRNUDZPG-WJHPVVSESA-N
• XLogP: 14.44
• TPSA: 160.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1211.37
LogP ≤ 5	14.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-[7-(difluoromethyl)-5-[4-[(1R,2S)-2-fluorocyclohexyl]phenyl]-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-[7-(difluoromethyl)-5-[4-[(1S,2R)-2-fluorocyclohexyl]phenyl]-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-[7-(difluoromethyl)-5-[4-[(1R,2S)-2-fluorocyclohexyl]phenyl]-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-[7-(difluoromethyl)-5-[4-[(1S,2R)-2-fluorocyclohexyl]phenyl]-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 167659134) is 2-[7-(difluoromethyl)-5-[4-[(1R,2S)-2-fluorocyclohexyl]phenyl]-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-[7-(difluoromethyl)-5-[4-[(1S,2R)-2-fluorocyclohexyl]phenyl]-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-[7-(difluoromethyl)-5-[4-[(1R,2S)-2-fluorocyclohexyl]phenyl]-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-[7-(difluoromethyl)-5-[4-[(1S,2R)-2-fluorocyclohexyl]phenyl]-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-[7-(difluoromethyl)-5-[4-[(1R,2S)-2-fluorocyclohexyl]phenyl]-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-[7-(difluoromethyl)-5-[4-[(1S,2R)-2-fluorocyclohexyl]phenyl]-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(cc(-c3ccc([C@@H]4CCCC[C@H]4F)cc3)cc2C(F)F)C1=O.O=C(Nc1nccs1)C(c1ncn2c1CCC2)N1Cc2c(cc(-c3ccc([C@H]4CCCC[C@@H]4F)cc3)cc2C(F)F)C1=O.

What is the InChIKey of 2-[7-(difluoromethyl)-5-[4-[(1R,2S)-2-fluorocyclohexyl]phenyl]-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-[7-(difluoromethyl)-5-[4-[(1S,2R)-2-fluorocyclohexyl]phenyl]-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 RRVHFKLRNUDZPG-WJHPVVSESA-N. The full InChI is InChI=1S/2C32H30F3N5O2S/c2*33-25-5-2-1-4-21(25)19-9-7-18(8-10-19)20-14-22(29(34)35)24-16-40(31(42)23(24)15-20)28(30(41)38-32-36-11-13-43-32)27-26-6-3-12-39(26)17-37-27/h2*7-11,13-15,17,21,25,28-29H,1-6,12,16H2,(H,36,38,41)/t2*21-,25+,28?/m10/s1.

What are the key properties of 2-[7-(difluoromethyl)-5-[4-[(1R,2S)-2-fluorocyclohexyl]phenyl]-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-[7-(difluoromethyl)-5-[4-[(1S,2R)-2-fluorocyclohexyl]phenyl]-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-[7-(difluoromethyl)-5-[4-[(1R,2S)-2-fluorocyclohexyl]phenyl]-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-[7-(difluoromethyl)-5-[4-[(1S,2R)-2-fluorocyclohexyl]phenyl]-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 1211.37 g/mol, XLogP of 14.44, 14 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-(difluoromethyl)-5-[4-[(1R,2S)-2-fluorocyclohexyl]phenyl]-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-[7-(difluoromethyl)-5-[4-[(1S,2R)-2-fluorocyclohexyl]phenyl]-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 167659134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).