(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-dimethylpiperidine-2-carboxamide

C30H34Cl2N4O2S — CID 58007417

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-dimethylpiperidine-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-dimethylpiperidine-2-carboxamide (PubChem CID 58007417) has the molecular formula C30H34Cl2N4O2S and a molecular weight of 585.60 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-dimethylpiperidine-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-dimethylpiperidine-2-carboxamide
• PubChem CID: 58007417
• Molecular Formula: C30H34Cl2N4O2S
• Molecular Weight: 585.60 g/mol
• Exact Mass: 584.18
• 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-dimethylpiperidine-2-carboxamide
• SMILES: CC(C)C1=C(C(=O)N2CCCC[C@H]2C(=O)N(C)C)SC2=NC(C)(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N21
• InChI: InChI=1S/C30H34Cl2N4O2S/c1-18(2)24-25(28(38)35-17-7-6-8-23(35)27(37)34(4)5)39-29-33-30(3,20-11-15-22(32)16-12-20)26(36(24)29)19-9-13-21(31)14-10-19/h9-16,18,23,26H,6-8,17H2,1-5H3/t23-,26?,30?/m0/s1
• InChIKey: TXOXASKOGJVPIB-SOPIBMRQSA-N
• XLogP: 6.71
• TPSA: 56.22 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	585.60
LogP ≤ 5	6.71
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-dimethylpiperidine-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-dimethylpiperidine-2-carboxamide (CID 58007417) 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-dimethylpiperidine-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-dimethylpiperidine-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-dimethylpiperidine-2-carboxamide is CC(C)C1=C(C(=O)N2CCCC[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-dimethylpiperidine-2-carboxamide?

The InChIKey is TXOXASKOGJVPIB-SOPIBMRQSA-N. The full InChI is InChI=1S/C30H34Cl2N4O2S/c1-18(2)24-25(28(38)35-17-7-6-8-23(35)27(37)34(4)5)39-29-33-30(3,20-11-15-22(32)16-12-20)26(36(24)29)19-9-13-21(31)14-10-19/h9-16,18,23,26H,6-8,17H2,1-5H3/t23-,26?,30?/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-dimethylpiperidine-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-dimethylpiperidine-2-carboxamide has a molecular weight of 585.60 g/mol, XLogP of 6.71, 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-dimethylpiperidine-2-carboxamide is sourced from PubChem (CID 58007417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).