(2S)-1-[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide

C29H32Cl2N4O2S — CID 71718589

About (2S)-1-[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide

(2S)-1-[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 71718589) has the molecular formula C29H32Cl2N4O2S and a molecular weight of 571.57 g/mol. Its IUPAC name is (2S)-1-[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S)-1-[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide
• PubChem CID: 71718589
• Molecular Formula: C29H32Cl2N4O2S
• Molecular Weight: 571.57 g/mol
• Exact Mass: 570.16
• IUPAC Name: (2S)-1-[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide
• SMILES: CC(C)C1=C(C(=O)N2CCC[C@H]2C(=O)N(C)C)SC2=NC(C)(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N21
• InChI: InChI=1S/C29H32Cl2N4O2S/c1-17(2)23-24(27(37)34-16-6-7-22(34)26(36)33(4)5)38-28-32-29(3,19-10-14-21(31)15-11-19)25(35(23)28)18-8-12-20(30)13-9-18/h8-15,17,22,25H,6-7,16H2,1-5H3/t22-,25?,29?/m0/s1
• InChIKey: BWUMOCARMRPCIP-URFUZKAUSA-N
• XLogP: 6.32
• TPSA: 56.22 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	571.57
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide?

The IUPAC name of (2S)-1-[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 71718589) is (2S)-1-[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide.

What is the SMILES notation for (2S)-1-[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide?

The canonical SMILES for (2S)-1-[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide is CC(C)C1=C(C(=O)N2CCC[C@H]2C(=O)N(C)C)SC2=NC(C)(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N21.

What is the InChIKey of (2S)-1-[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide?

The InChIKey is BWUMOCARMRPCIP-URFUZKAUSA-N. The full InChI is InChI=1S/C29H32Cl2N4O2S/c1-17(2)23-24(27(37)34-16-6-7-22(34)26(36)33(4)5)38-28-32-29(3,19-10-14-21(31)15-11-19)25(35(23)28)18-8-12-20(30)13-9-18/h8-15,17,22,25H,6-7,16H2,1-5H3/t22-,25?,29?/m0/s1.

What are the key properties of (2S)-1-[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide?

(2S)-1-[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 571.57 g/mol, XLogP of 6.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 71718589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).