6-(2-chlorophenyl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide

C22H16ClFN4OS — CID 42512524

About 6-(2-chlorophenyl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide

6-(2-chlorophenyl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 42512524) has the molecular formula C22H16ClFN4OS and a molecular weight of 438.92 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

• Compound Name: 6-(2-chlorophenyl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
• PubChem CID: 42512524
• Molecular Formula: C22H16ClFN4OS
• Molecular Weight: 438.92 g/mol
• Exact Mass: 438.07
• IUPAC Name: 6-(2-chlorophenyl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
• SMILES: CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)c1csc2nc(-c3ccccc3Cl)cn12
• InChI: InChI=1S/C22H16ClFN4OS/c1-27(10-15-9-13-8-14(24)6-7-18(13)25-15)21(29)20-12-30-22-26-19(11-28(20)22)16-4-2-3-5-17(16)23/h2-9,11-12,25H,10H2,1H3
• InChIKey: VXTGHZBRRUYUJW-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 53.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.92
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide?

The IUPAC name of 6-(2-chlorophenyl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 42512524) is 6-(2-chlorophenyl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide.

What is the SMILES notation for 6-(2-chlorophenyl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide?

The canonical SMILES for 6-(2-chlorophenyl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide is CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)c1csc2nc(-c3ccccc3Cl)cn12.

What is the InChIKey of 6-(2-chlorophenyl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide?

The InChIKey is VXTGHZBRRUYUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN4OS/c1-27(10-15-9-13-8-14(24)6-7-18(13)25-15)21(29)20-12-30-22-26-19(11-28(20)22)16-4-2-3-5-17(16)23/h2-9,11-12,25H,10H2,1H3.

What are the key properties of 6-(2-chlorophenyl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide?

6-(2-chlorophenyl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 438.92 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-chlorophenyl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 42512524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).