5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone;(3R)-N,N-dimethylpyrrolidin-3-amine

C56H66Cl4N8O3S2 — CID 159893538

About 5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone;(3R)-N,N-dimethylpyrrolidin-3-amine

5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone;(3R)-N,N-dimethylpyrrolidin-3-amine (PubChem CID 159893538) has the molecular formula C56H66Cl4N8O3S2 and a molecular weight of 1105.14 g/mol. Its IUPAC name is 5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone;(3R)-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

• Compound Name: 5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone;(3R)-N,N-dimethylpyrrolidin-3-amine
• PubChem CID: 159893538
• Molecular Formula: C56H66Cl4N8O3S2
• Molecular Weight: 1105.14 g/mol
• Exact Mass: 1102.35
• IUPAC Name: 5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone;(3R)-N,N-dimethylpyrrolidin-3-amine
• SMILES: CC(C)C1=C(C(=O)N2CC[C@@H](N(C)C)C2)SC2=NC(C)(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N21.CC(C)C1=C(C(=O)O)SC2=NC(C)(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N21.CN(C)[C@@H]1CCNC1
• InChI: InChI=1S/C28H32Cl2N4OS.C22H20Cl2N2O2S.C6H14N2/c1-17(2)23-24(26(35)33-15-14-22(16-33)32(4)5)36-27-31-28(3,19-8-12-21(30)13-9-19)25(34(23)27)18-6-10-20(29)11-7-18;1-12(2)17-18(20(27)28)29-21-25-22(3,14-6-10-16(24)11-7-14)19(26(17)21)13-4-8-15(23)9-5-13;1-8(2)6-3-4-7-5-6/h6-13,17,22,25H,14-16H2,1-5H3;4-12,19H,1-3H3,(H,27,28);6-7H,3-5H2,1-2H3/t22-,25?,28?;;6-/m1.1/s1
• InChIKey: NVBFILHAWVZTSH-FETNIEDASA-N
• XLogP: 12.63
• TPSA: 107.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1105.14
LogP ≤ 5	12.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone;(3R)-N,N-dimethylpyrrolidin-3-amine?

The IUPAC name of 5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone;(3R)-N,N-dimethylpyrrolidin-3-amine (CID 159893538) is 5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone;(3R)-N,N-dimethylpyrrolidin-3-amine.

What is the SMILES notation for 5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone;(3R)-N,N-dimethylpyrrolidin-3-amine?

The canonical SMILES for 5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone;(3R)-N,N-dimethylpyrrolidin-3-amine is CC(C)C1=C(C(=O)N2CC[C@@H](N(C)C)C2)SC2=NC(C)(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N21.CC(C)C1=C(C(=O)O)SC2=NC(C)(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N21.CN(C)[C@@H]1CCNC1.

What is the InChIKey of 5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone;(3R)-N,N-dimethylpyrrolidin-3-amine?

The InChIKey is NVBFILHAWVZTSH-FETNIEDASA-N. The full InChI is InChI=1S/C28H32Cl2N4OS.C22H20Cl2N2O2S.C6H14N2/c1-17(2)23-24(26(35)33-15-14-22(16-33)32(4)5)36-27-31-28(3,19-8-12-21(30)13-9-19)25(34(23)27)18-6-10-20(29)11-7-18;1-12(2)17-18(20(27)28)29-21-25-22(3,14-6-10-16(24)11-7-14)19(26(17)21)13-4-8-15(23)9-5-13;1-8(2)6-3-4-7-5-6/h6-13,17,22,25H,14-16H2,1-5H3;4-12,19H,1-3H3,(H,27,28);6-7H,3-5H2,1-2H3/t22-,25?,28?;;6-/m1.1/s1.

What are the key properties of 5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone;(3R)-N,N-dimethylpyrrolidin-3-amine?

5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone;(3R)-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 1105.14 g/mol, XLogP of 12.63, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone;(3R)-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 159893538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).