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

C27H26FN5O2S — CID 66840614

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

[3-(3-fluorophenyl)-1-methylindol-6-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone (PubChem CID 66840614) has the molecular formula C27H26FN5O2S and a molecular weight of 503.60 g/mol. Its IUPAC name is [3-(3-fluorophenyl)-1-methylindol-6-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone.

Molecular Properties

• Compound Name: [3-(3-fluorophenyl)-1-methylindol-6-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
• PubChem CID: 66840614
• Molecular Formula: C27H26FN5O2S
• Molecular Weight: 503.60 g/mol
• Exact Mass: 503.18
• IUPAC Name: [3-(3-fluorophenyl)-1-methylindol-6-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
• SMILES: Cn1cc(-c2cccc(F)c2)c2ccc(C(=O)N3CC(N4CCN(C(=O)c5nccs5)CC4)C3)cc21
• InChI: InChI=1S/C27H26FN5O2S/c1-30-17-23(18-3-2-4-20(28)13-18)22-6-5-19(14-24(22)30)26(34)33-15-21(16-33)31-8-10-32(11-9-31)27(35)25-29-7-12-36-25/h2-7,12-14,17,21H,8-11,15-16H2,1H3
• InChIKey: YUYFZVDGNXYEIC-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 61.68 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.60
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [3-(3-fluorophenyl)-1-methylindol-6-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone (CID 66840614) is [3-(3-fluorophenyl)-1-methylindol-6-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone.

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

The canonical SMILES for [3-(3-fluorophenyl)-1-methylindol-6-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone is Cn1cc(-c2cccc(F)c2)c2ccc(C(=O)N3CC(N4CCN(C(=O)c5nccs5)CC4)C3)cc21.

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

The InChIKey is YUYFZVDGNXYEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN5O2S/c1-30-17-23(18-3-2-4-20(28)13-18)22-6-5-19(14-24(22)30)26(34)33-15-21(16-33)31-8-10-32(11-9-31)27(35)25-29-7-12-36-25/h2-7,12-14,17,21H,8-11,15-16H2,1H3.

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

[3-(3-fluorophenyl)-1-methylindol-6-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone has a molecular weight of 503.60 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(3-fluorophenyl)-1-methylindol-6-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 66840614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).