[(2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)methanone

C34H39Cl2N5O2S — CID 67058433

About [(2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)methanone

[(2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)methanone (PubChem CID 67058433) has the molecular formula C34H39Cl2N5O2S and a molecular weight of 652.69 g/mol. Its IUPAC name is [(2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)methanone.

Molecular Properties

• Compound Name: [(2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)methanone
• PubChem CID: 67058433
• Molecular Formula: C34H39Cl2N5O2S
• Molecular Weight: 652.69 g/mol
• Exact Mass: 651.22
• IUPAC Name: [(2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)methanone
• SMILES: CC(C)C1=C(C(=O)N2CCC[C@H]2C(=O)N2CCN(C)C3(CC3)C2)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21
• InChI: InChI=1S/C34H39Cl2N5O2S/c1-21(2)27-28(31(43)40-17-5-6-26(40)30(42)39-19-18-38(4)34(20-39)15-16-34)44-32-37-33(3,23-9-13-25(36)14-10-23)29(41(27)32)22-7-11-24(35)12-8-22/h7-14,21,26,29H,5-6,15-20H2,1-4H3/t26-,29+,33-/m0/s1
• InChIKey: NMWLPHRACNEBNQ-NEUJRDPRSA-N
• XLogP: 6.53
• TPSA: 59.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	652.69
LogP ≤ 5	6.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)methanone?

The IUPAC name of [(2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)methanone (CID 67058433) is [(2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)methanone.

What is the SMILES notation for [(2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)methanone?

The canonical SMILES for [(2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)methanone is CC(C)C1=C(C(=O)N2CCC[C@H]2C(=O)N2CCN(C)C3(CC3)C2)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21.

What is the InChIKey of [(2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)methanone?

The InChIKey is NMWLPHRACNEBNQ-NEUJRDPRSA-N. The full InChI is InChI=1S/C34H39Cl2N5O2S/c1-21(2)27-28(31(43)40-17-5-6-26(40)30(42)39-19-18-38(4)34(20-39)15-16-34)44-32-37-33(3,23-9-13-25(36)14-10-23)29(41(27)32)22-7-11-24(35)12-8-22/h7-14,21,26,29H,5-6,15-20H2,1-4H3/t26-,29+,33-/m0/s1.

What are the key properties of [(2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)methanone?

[(2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)methanone has a molecular weight of 652.69 g/mol, XLogP of 6.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)methanone is sourced from PubChem (CID 67058433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).