6-ethyl-N-[[4-(5-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;[4-(5-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]methanamine;5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;1-fluoro-4-isocyanobenzene;5-fluoro-2-(4-isocyanophenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

C74H87F5N12O3S2 — CID 158363566

About 6-ethyl-N-[[4-(5-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;[4-(5-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]methanamine;5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;1-fluoro-4-isocyanobenzene;5-fluoro-2-(4-isocyanophenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

6-ethyl-N-[[4-(5-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;[4-(5-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]methanamine;5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;1-fluoro-4-isocyanobenzene;5-fluoro-2-(4-isocyanophenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 158363566) has the molecular formula C74H87F5N12O3S2 and a molecular weight of 1351.71 g/mol. Its IUPAC name is 6-ethyl-N-[[4-(5-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;[4-(5-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]methanamine;5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;1-fluoro-4-isocyanobenzene;5-fluoro-2-(4-isocyanophenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

• Compound Name: 6-ethyl-N-[[4-(5-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;[4-(5-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]methanamine;5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;1-fluoro-4-isocyanobenzene;5-fluoro-2-(4-isocyanophenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
• PubChem CID: 158363566
• Molecular Formula: C74H87F5N12O3S2
• Molecular Weight: 1351.71 g/mol
• Exact Mass: 1350.64
• IUPAC Name: 6-ethyl-N-[[4-(5-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;[4-(5-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]methanamine;5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;1-fluoro-4-isocyanobenzene;5-fluoro-2-(4-isocyanophenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
• SMILES: CCc1nc2sc(C)cn2c1C(=O)NCc1ccc(N2CC3CC(F)CC3C2)cc1.CCc1nc2sc(C)cn2c1C(=O)O.FC1CC2CNCC2C1.NCc1ccc(N2CC3CC(F)CC3C2)cc1.[C-]#[N+]c1ccc(F)cc1.[C-]#[N+]c1ccc(N2CC3CC(F)CC3C2)cc1
• InChI: InChI=1S/C23H27FN4OS.C14H15FN2.C14H19FN2.C9H10N2O2S.C7H12FN.C7H4FN/c1-3-20-21(28-11-14(2)30-23(28)26-20)22(29)25-10-15-4-6-19(7-5-15)27-12-16-8-18(24)9-17(16)13-27;1-16-13-2-4-14(5-3-13)17-8-10-6-12(15)7-11(10)9-17;15-13-5-11-8-17(9-12(11)6-13)14-3-1-10(7-16)2-4-14;1-3-6-7(8(12)13)11-4-5(2)14-9(11)10-6;8-7-1-5-3-9-4-6(5)2-7;1-9-7-4-2-6(8)3-5-7/h4-7,11,16-18H,3,8-10,12-13H2,1-2H3,(H,25,29);2-5,10-12H,6-9H2;1-4,11-13H,5-9,16H2;4H,3H2,1-2H3,(H,12,13);5-7,9H,1-4H2;2-5H
• InChIKey: GTTJANRTDYNZGU-UHFFFAOYSA-N
• XLogP: 15.43
• TPSA: 157.49 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1351.71
LogP ≤ 5	15.43
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[[4-(5-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;[4-(5-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]methanamine;5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;1-fluoro-4-isocyanobenzene;5-fluoro-2-(4-isocyanophenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?

The IUPAC name of 6-ethyl-N-[[4-(5-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;[4-(5-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]methanamine;5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;1-fluoro-4-isocyanobenzene;5-fluoro-2-(4-isocyanophenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 158363566) is 6-ethyl-N-[[4-(5-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;[4-(5-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]methanamine;5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;1-fluoro-4-isocyanobenzene;5-fluoro-2-(4-isocyanophenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

What is the SMILES notation for 6-ethyl-N-[[4-(5-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;[4-(5-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]methanamine;5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;1-fluoro-4-isocyanobenzene;5-fluoro-2-(4-isocyanophenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?

The canonical SMILES for 6-ethyl-N-[[4-(5-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;[4-(5-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]methanamine;5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;1-fluoro-4-isocyanobenzene;5-fluoro-2-(4-isocyanophenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is CCc1nc2sc(C)cn2c1C(=O)NCc1ccc(N2CC3CC(F)CC3C2)cc1.CCc1nc2sc(C)cn2c1C(=O)O.FC1CC2CNCC2C1.NCc1ccc(N2CC3CC(F)CC3C2)cc1.[C-]#[N+]c1ccc(F)cc1.[C-]#[N+]c1ccc(N2CC3CC(F)CC3C2)cc1.

What is the InChIKey of 6-ethyl-N-[[4-(5-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;[4-(5-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]methanamine;5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;1-fluoro-4-isocyanobenzene;5-fluoro-2-(4-isocyanophenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?

The InChIKey is GTTJANRTDYNZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4OS.C14H15FN2.C14H19FN2.C9H10N2O2S.C7H12FN.C7H4FN/c1-3-20-21(28-11-14(2)30-23(28)26-20)22(29)25-10-15-4-6-19(7-5-15)27-12-16-8-18(24)9-17(16)13-27;1-16-13-2-4-14(5-3-13)17-8-10-6-12(15)7-11(10)9-17;15-13-5-11-8-17(9-12(11)6-13)14-3-1-10(7-16)2-4-14;1-3-6-7(8(12)13)11-4-5(2)14-9(11)10-6;8-7-1-5-3-9-4-6(5)2-7;1-9-7-4-2-6(8)3-5-7/h4-7,11,16-18H,3,8-10,12-13H2,1-2H3,(H,25,29);2-5,10-12H,6-9H2;1-4,11-13H,5-9,16H2;4H,3H2,1-2H3,(H,12,13);5-7,9H,1-4H2;2-5H.

What are the key properties of 6-ethyl-N-[[4-(5-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;[4-(5-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]methanamine;5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;1-fluoro-4-isocyanobenzene;5-fluoro-2-(4-isocyanophenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?

6-ethyl-N-[[4-(5-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;[4-(5-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]methanamine;5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;1-fluoro-4-isocyanobenzene;5-fluoro-2-(4-isocyanophenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 1351.71 g/mol, XLogP of 15.43, 10 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethyl-N-[[4-(5-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;[4-(5-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]methanamine;5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;1-fluoro-4-isocyanobenzene;5-fluoro-2-(4-isocyanophenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 158363566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).