[(2R)-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]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone

C33H39Cl2N5O2S — CID 68804768

About [(2R)-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]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone

[(2R)-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]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone (PubChem CID 68804768) has the molecular formula C33H39Cl2N5O2S and a molecular weight of 640.68 g/mol. Its IUPAC name is [(2R)-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]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: [(2R)-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]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
• PubChem CID: 68804768
• Molecular Formula: C33H39Cl2N5O2S
• Molecular Weight: 640.68 g/mol
• Exact Mass: 639.22
• IUPAC Name: [(2R)-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]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
• SMILES: CC(C)C1=C(C(=O)N2CCC[C@@H]2C(=O)N2CC[C@@H](N(C)C)C2)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21
• InChI: InChI=1S/C33H39Cl2N5O2S/c1-20(2)27-28(31(42)39-17-6-7-26(39)30(41)38-18-16-25(19-38)37(4)5)43-32-36-33(3,22-10-14-24(35)15-11-22)29(40(27)32)21-8-12-23(34)13-9-21/h8-15,20,25-26,29H,6-7,16-19H2,1-5H3/t25-,26-,29-,33+/m1/s1
• InChIKey: SBANPWTXZIIDBN-RGTBVCBFSA-N
• XLogP: 6.39
• TPSA: 59.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	640.68
LogP ≤ 5	6.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(2R)-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]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone?

The IUPAC name of [(2R)-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]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone (CID 68804768) is [(2R)-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]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone.

What is the SMILES notation for [(2R)-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]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone?

The canonical SMILES for [(2R)-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]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone is CC(C)C1=C(C(=O)N2CCC[C@@H]2C(=O)N2CC[C@@H](N(C)C)C2)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21.

What is the InChIKey of [(2R)-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]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone?

The InChIKey is SBANPWTXZIIDBN-RGTBVCBFSA-N. The full InChI is InChI=1S/C33H39Cl2N5O2S/c1-20(2)27-28(31(42)39-17-6-7-26(39)30(41)38-18-16-25(19-38)37(4)5)43-32-36-33(3,22-10-14-24(35)15-11-22)29(40(27)32)21-8-12-23(34)13-9-21/h8-15,20,25-26,29H,6-7,16-19H2,1-5H3/t25-,26-,29-,33+/m1/s1.

What are the key properties of [(2R)-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]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone?

[(2R)-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]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone has a molecular weight of 640.68 g/mol, XLogP of 6.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-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]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 68804768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).