N-(6-methyl-1,3-benzothiazol-2-yl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide

C20H14N4OS2 — CID 42271565

About N-(6-methyl-1,3-benzothiazol-2-yl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide

N-(6-methyl-1,3-benzothiazol-2-yl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 42271565) has the molecular formula C20H14N4OS2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzothiazol-2-yl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

• Compound Name: N-(6-methyl-1,3-benzothiazol-2-yl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
• PubChem CID: 42271565
• Molecular Formula: C20H14N4OS2
• Molecular Weight: 390.49 g/mol
• Exact Mass: 390.06
• IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
• SMILES: Cc1ccc2nc(NC(=O)c3csc4nc(-c5ccccc5)cn34)sc2c1
• InChI: InChI=1S/C20H14N4OS2/c1-12-7-8-14-17(9-12)27-19(21-14)23-18(25)16-11-26-20-22-15(10-24(16)20)13-5-3-2-4-6-13/h2-11H,1H3,(H,21,23,25)
• InChIKey: CHOXYNAGTQLBAY-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 59.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	390.49
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide?

The IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 42271565) is N-(6-methyl-1,3-benzothiazol-2-yl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide.

What is the SMILES notation for N-(6-methyl-1,3-benzothiazol-2-yl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide?

The canonical SMILES for N-(6-methyl-1,3-benzothiazol-2-yl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide is Cc1ccc2nc(NC(=O)c3csc4nc(-c5ccccc5)cn34)sc2c1.

What is the InChIKey of N-(6-methyl-1,3-benzothiazol-2-yl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide?

The InChIKey is CHOXYNAGTQLBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4OS2/c1-12-7-8-14-17(9-12)27-19(21-14)23-18(25)16-11-26-20-22-15(10-24(16)20)13-5-3-2-4-6-13/h2-11H,1H3,(H,21,23,25).

What are the key properties of N-(6-methyl-1,3-benzothiazol-2-yl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide?

N-(6-methyl-1,3-benzothiazol-2-yl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-methyl-1,3-benzothiazol-2-yl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 42271565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).