[(5R)-1-[5-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]-5-methylpyrrolidin-2-yl]-(4,7-diazaspiro[2.5]octan-7-yl)methanone

C33H36ClF2N5O2S — CID 70237292

About [(5R)-1-[5-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]-5-methylpyrrolidin-2-yl]-(4,7-diazaspiro[2.5]octan-7-yl)methanone

[(5R)-1-[5-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]-5-methylpyrrolidin-2-yl]-(4,7-diazaspiro[2.5]octan-7-yl)methanone (PubChem CID 70237292) has the molecular formula C33H36ClF2N5O2S and a molecular weight of 640.20 g/mol. Its IUPAC name is [(5R)-1-[5-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]-5-methylpyrrolidin-2-yl]-(4,7-diazaspiro[2.5]octan-7-yl)methanone.

Molecular Properties

• Compound Name: [(5R)-1-[5-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]-5-methylpyrrolidin-2-yl]-(4,7-diazaspiro[2.5]octan-7-yl)methanone
• PubChem CID: 70237292
• Molecular Formula: C33H36ClF2N5O2S
• Molecular Weight: 640.20 g/mol
• Exact Mass: 639.22
• IUPAC Name: [(5R)-1-[5-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]-5-methylpyrrolidin-2-yl]-(4,7-diazaspiro[2.5]octan-7-yl)methanone
• SMILES: CC(C)C1=C(C(=O)N2C(C(=O)N3CCNC4(CC4)C3)CC[C@H]2C)SC2=NC(c3ccc(F)cc3)C(c3ccc(Cl)c(F)c3)N21
• InChI: InChI=1S/C33H36ClF2N5O2S/c1-18(2)27-29(31(43)40-19(3)4-11-25(40)30(42)39-15-14-37-33(17-39)12-13-33)44-32-38-26(20-5-8-22(35)9-6-20)28(41(27)32)21-7-10-23(34)24(36)16-21/h5-10,16,18-19,25-26,28,37H,4,11-15,17H2,1-3H3/t19-,25?,26?,28?/m1/s1
• InChIKey: YLJNONBIAMSUMX-NCVXTODNSA-N
• XLogP: 6.03
• TPSA: 68.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	640.20
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(5R)-1-[5-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]-5-methylpyrrolidin-2-yl]-(4,7-diazaspiro[2.5]octan-7-yl)methanone?

The IUPAC name of [(5R)-1-[5-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]-5-methylpyrrolidin-2-yl]-(4,7-diazaspiro[2.5]octan-7-yl)methanone (CID 70237292) is [(5R)-1-[5-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]-5-methylpyrrolidin-2-yl]-(4,7-diazaspiro[2.5]octan-7-yl)methanone.

What is the SMILES notation for [(5R)-1-[5-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]-5-methylpyrrolidin-2-yl]-(4,7-diazaspiro[2.5]octan-7-yl)methanone?

The canonical SMILES for [(5R)-1-[5-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]-5-methylpyrrolidin-2-yl]-(4,7-diazaspiro[2.5]octan-7-yl)methanone is CC(C)C1=C(C(=O)N2C(C(=O)N3CCNC4(CC4)C3)CC[C@H]2C)SC2=NC(c3ccc(F)cc3)C(c3ccc(Cl)c(F)c3)N21.

What is the InChIKey of [(5R)-1-[5-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]-5-methylpyrrolidin-2-yl]-(4,7-diazaspiro[2.5]octan-7-yl)methanone?

The InChIKey is YLJNONBIAMSUMX-NCVXTODNSA-N. The full InChI is InChI=1S/C33H36ClF2N5O2S/c1-18(2)27-29(31(43)40-19(3)4-11-25(40)30(42)39-15-14-37-33(17-39)12-13-33)44-32-38-26(20-5-8-22(35)9-6-20)28(41(27)32)21-7-10-23(34)24(36)16-21/h5-10,16,18-19,25-26,28,37H,4,11-15,17H2,1-3H3/t19-,25?,26?,28?/m1/s1.

What are the key properties of [(5R)-1-[5-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]-5-methylpyrrolidin-2-yl]-(4,7-diazaspiro[2.5]octan-7-yl)methanone?

[(5R)-1-[5-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]-5-methylpyrrolidin-2-yl]-(4,7-diazaspiro[2.5]octan-7-yl)methanone has a molecular weight of 640.20 g/mol, XLogP of 6.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(5R)-1-[5-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]-5-methylpyrrolidin-2-yl]-(4,7-diazaspiro[2.5]octan-7-yl)methanone is sourced from PubChem (CID 70237292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).