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

C29H33Cl2N5O2S — CID 58007132

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

4-[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 58007132) has the molecular formula C29H33Cl2N5O2S and a molecular weight of 586.59 g/mol. Its IUPAC name is 4-[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylpiperazine-1-carboxamide
• PubChem CID: 58007132
• Molecular Formula: C29H33Cl2N5O2S
• Molecular Weight: 586.59 g/mol
• Exact Mass: 585.17
• IUPAC Name: 4-[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylpiperazine-1-carboxamide
• SMILES: CC(C)C1=C(C(=O)N2CCN(C(=O)N(C)C)CC2)SC2=NC(C)(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N21
• InChI: InChI=1S/C29H33Cl2N5O2S/c1-18(2)23-24(26(37)34-14-16-35(17-15-34)28(38)33(4)5)39-27-32-29(3,20-8-12-22(31)13-9-20)25(36(23)27)19-6-10-21(30)11-7-19/h6-13,18,25H,14-17H2,1-5H3
• InChIKey: WLAUXEPIIIOXRV-UHFFFAOYSA-N
• XLogP: 6.06
• TPSA: 59.46 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.59
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylpiperazine-1-carboxamide (CID 58007132) is 4-[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylpiperazine-1-carboxamide.

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

The canonical SMILES for 4-[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylpiperazine-1-carboxamide is CC(C)C1=C(C(=O)N2CCN(C(=O)N(C)C)CC2)SC2=NC(C)(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N21.

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

The InChIKey is WLAUXEPIIIOXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33Cl2N5O2S/c1-18(2)23-24(26(37)34-14-16-35(17-15-34)28(38)33(4)5)39-27-32-29(3,20-8-12-22(31)13-9-20)25(36(23)27)19-6-10-21(30)11-7-19/h6-13,18,25H,14-17H2,1-5H3.

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

4-[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 586.59 g/mol, XLogP of 6.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 58007132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).