[6-(4-fluorophenyl)-1H-indol-2-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone

C26H24FN5O2S — CID 66840868

About [6-(4-fluorophenyl)-1H-indol-2-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone

[6-(4-fluorophenyl)-1H-indol-2-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone (PubChem CID 66840868) has the molecular formula C26H24FN5O2S and a molecular weight of 489.58 g/mol. Its IUPAC name is [6-(4-fluorophenyl)-1H-indol-2-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone.

Molecular Properties

• Compound Name: [6-(4-fluorophenyl)-1H-indol-2-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
• PubChem CID: 66840868
• Molecular Formula: C26H24FN5O2S
• Molecular Weight: 489.58 g/mol
• Exact Mass: 489.16
• IUPAC Name: [6-(4-fluorophenyl)-1H-indol-2-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
• SMILES: O=C(c1cc2ccc(-c3ccc(F)cc3)cc2[nH]1)N1CC(N2CCN(C(=O)c3nccs3)CC2)C1
• InChI: InChI=1S/C26H24FN5O2S/c27-20-5-3-17(4-6-20)18-1-2-19-14-23(29-22(19)13-18)25(33)32-15-21(16-32)30-8-10-31(11-9-30)26(34)24-28-7-12-35-24/h1-7,12-14,21,29H,8-11,15-16H2
• InChIKey: IDGCJDZGGOCHNW-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 72.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.58
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [6-(4-fluorophenyl)-1H-indol-2-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?

The IUPAC name of [6-(4-fluorophenyl)-1H-indol-2-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone (CID 66840868) is [6-(4-fluorophenyl)-1H-indol-2-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone.

What is the SMILES notation for [6-(4-fluorophenyl)-1H-indol-2-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?

The canonical SMILES for [6-(4-fluorophenyl)-1H-indol-2-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone is O=C(c1cc2ccc(-c3ccc(F)cc3)cc2[nH]1)N1CC(N2CCN(C(=O)c3nccs3)CC2)C1.

What is the InChIKey of [6-(4-fluorophenyl)-1H-indol-2-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?

The InChIKey is IDGCJDZGGOCHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O2S/c27-20-5-3-17(4-6-20)18-1-2-19-14-23(29-22(19)13-18)25(33)32-15-21(16-32)30-8-10-31(11-9-30)26(34)24-28-7-12-35-24/h1-7,12-14,21,29H,8-11,15-16H2.

What are the key properties of [6-(4-fluorophenyl)-1H-indol-2-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?

[6-(4-fluorophenyl)-1H-indol-2-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone has a molecular weight of 489.58 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(4-fluorophenyl)-1H-indol-2-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 66840868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).