(5R,6S)-5,6-bis(4-chlorophenyl)-N-(2-methoxyethyl)-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide

C26H29Cl2N3O2S — CID 24967807

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

(5R,6S)-5,6-bis(4-chlorophenyl)-N-(2-methoxyethyl)-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 24967807) has the molecular formula C26H29Cl2N3O2S and a molecular weight of 518.51 g/mol. Its IUPAC name is (5R,6S)-5,6-bis(4-chlorophenyl)-N-(2-methoxyethyl)-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

• Compound Name: (5R,6S)-5,6-bis(4-chlorophenyl)-N-(2-methoxyethyl)-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
• PubChem CID: 24967807
• Molecular Formula: C26H29Cl2N3O2S
• Molecular Weight: 518.51 g/mol
• Exact Mass: 517.14
• IUPAC Name: (5R,6S)-5,6-bis(4-chlorophenyl)-N-(2-methoxyethyl)-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
• SMILES: COCCN(C)C(=O)C1=C(C(C)C)N2C(=N[C@@](C)(c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)S1
• InChI: InChI=1S/C26H29Cl2N3O2S/c1-16(2)21-22(24(32)30(4)14-15-33-5)34-25-29-26(3,18-8-12-20(28)13-9-18)23(31(21)25)17-6-10-19(27)11-7-17/h6-13,16,23H,14-15H2,1-5H3/t23-,26+/m1/s1
• InChIKey: IGKUTEZTTGXCPZ-BVAGGSTKSA-N
• XLogP: 6.34
• TPSA: 45.14 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.51
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (5R,6S)-5,6-bis(4-chlorophenyl)-N-(2-methoxyethyl)-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 24967807) is (5R,6S)-5,6-bis(4-chlorophenyl)-N-(2-methoxyethyl)-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide.

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

The canonical SMILES for (5R,6S)-5,6-bis(4-chlorophenyl)-N-(2-methoxyethyl)-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide is COCCN(C)C(=O)C1=C(C(C)C)N2C(=N[C@@](C)(c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)S1.

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

The InChIKey is IGKUTEZTTGXCPZ-BVAGGSTKSA-N. The full InChI is InChI=1S/C26H29Cl2N3O2S/c1-16(2)21-22(24(32)30(4)14-15-33-5)34-25-29-26(3,18-8-12-20(28)13-9-18)23(31(21)25)17-6-10-19(27)11-7-17/h6-13,16,23H,14-15H2,1-5H3/t23-,26+/m1/s1.

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

(5R,6S)-5,6-bis(4-chlorophenyl)-N-(2-methoxyethyl)-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 518.51 g/mol, XLogP of 6.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R,6S)-5,6-bis(4-chlorophenyl)-N-(2-methoxyethyl)-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 24967807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).