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

C32H29N5O2S — CID 66840418

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

(2,3-diphenyl-1H-indol-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone (PubChem CID 66840418) has the molecular formula C32H29N5O2S and a molecular weight of 547.68 g/mol. Its IUPAC name is (2,3-diphenyl-1H-indol-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone.

Molecular Properties

• Compound Name: (2,3-diphenyl-1H-indol-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
• PubChem CID: 66840418
• Molecular Formula: C32H29N5O2S
• Molecular Weight: 547.68 g/mol
• Exact Mass: 547.20
• IUPAC Name: (2,3-diphenyl-1H-indol-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
• SMILES: O=C(c1ccc2c(-c3ccccc3)c(-c3ccccc3)[nH]c2c1)N1CC(N2CCN(C(=O)c3nccs3)CC2)C1
• InChI: InChI=1S/C32H29N5O2S/c38-31(37-20-25(21-37)35-14-16-36(17-15-35)32(39)30-33-13-18-40-30)24-11-12-26-27(19-24)34-29(23-9-5-2-6-10-23)28(26)22-7-3-1-4-8-22/h1-13,18-19,25,34H,14-17,20-21H2
• InChIKey: DHVYQJCTONCMGC-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 72.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	547.68
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (2,3-diphenyl-1H-indol-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone (CID 66840418) is (2,3-diphenyl-1H-indol-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone.

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

The canonical SMILES for (2,3-diphenyl-1H-indol-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone is O=C(c1ccc2c(-c3ccccc3)c(-c3ccccc3)[nH]c2c1)N1CC(N2CCN(C(=O)c3nccs3)CC2)C1.

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

The InChIKey is DHVYQJCTONCMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N5O2S/c38-31(37-20-25(21-37)35-14-16-36(17-15-35)32(39)30-33-13-18-40-30)24-11-12-26-27(19-24)34-29(23-9-5-2-6-10-23)28(26)22-7-3-1-4-8-22/h1-13,18-19,25,34H,14-17,20-21H2.

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

(2,3-diphenyl-1H-indol-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone has a molecular weight of 547.68 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2,3-diphenyl-1H-indol-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 66840418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).