6-(3-amino-4-chlorophenyl)-5-(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid

C22H21Cl2N3O2S — CID 58007093

About 6-(3-amino-4-chlorophenyl)-5-(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid

6-(3-amino-4-chlorophenyl)-5-(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid (PubChem CID 58007093) has the molecular formula C22H21Cl2N3O2S and a molecular weight of 462.40 g/mol. Its IUPAC name is 6-(3-amino-4-chlorophenyl)-5-(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid.

Molecular Properties

• Compound Name: 6-(3-amino-4-chlorophenyl)-5-(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
• PubChem CID: 58007093
• Molecular Formula: C22H21Cl2N3O2S
• Molecular Weight: 462.40 g/mol
• Exact Mass: 461.07
• IUPAC Name: 6-(3-amino-4-chlorophenyl)-5-(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
• SMILES: CC(C)C1=C(C(=O)O)SC2=NC(C)(c3ccc(Cl)c(N)c3)C(c3ccc(Cl)cc3)N21
• InChI: InChI=1S/C22H21Cl2N3O2S/c1-11(2)17-18(20(28)29)30-21-26-22(3,13-6-9-15(24)16(25)10-13)19(27(17)21)12-4-7-14(23)8-5-12/h4-11,19H,25H2,1-3H3,(H,28,29)
• InChIKey: URLADSYCCUUGRK-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 78.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.40
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-4-chlorophenyl)-5-(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?

The IUPAC name of 6-(3-amino-4-chlorophenyl)-5-(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid (CID 58007093) is 6-(3-amino-4-chlorophenyl)-5-(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid.

What is the SMILES notation for 6-(3-amino-4-chlorophenyl)-5-(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?

The canonical SMILES for 6-(3-amino-4-chlorophenyl)-5-(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid is CC(C)C1=C(C(=O)O)SC2=NC(C)(c3ccc(Cl)c(N)c3)C(c3ccc(Cl)cc3)N21.

What is the InChIKey of 6-(3-amino-4-chlorophenyl)-5-(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?

The InChIKey is URLADSYCCUUGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N3O2S/c1-11(2)17-18(20(28)29)30-21-26-22(3,13-6-9-15(24)16(25)10-13)19(27(17)21)12-4-7-14(23)8-5-12/h4-11,19H,25H2,1-3H3,(H,28,29).

What are the key properties of 6-(3-amino-4-chlorophenyl)-5-(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?

6-(3-amino-4-chlorophenyl)-5-(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid has a molecular weight of 462.40 g/mol, XLogP of 5.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-amino-4-chlorophenyl)-5-(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 58007093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).