2-(1-hexylpiperidin-4-yl)-4-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3-thiazole

C27H40N2S — CID 143916769

About 2-(1-hexylpiperidin-4-yl)-4-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3-thiazole

2-(1-hexylpiperidin-4-yl)-4-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3-thiazole (PubChem CID 143916769) has the molecular formula C27H40N2S and a molecular weight of 424.70 g/mol. Its IUPAC name is 2-(1-hexylpiperidin-4-yl)-4-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3-thiazole.

Molecular Properties

• Compound Name: 2-(1-hexylpiperidin-4-yl)-4-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3-thiazole
• PubChem CID: 143916769
• Molecular Formula: C27H40N2S
• Molecular Weight: 424.70 g/mol
• Exact Mass: 424.29
• IUPAC Name: 2-(1-hexylpiperidin-4-yl)-4-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3-thiazole
• SMILES: CCCCCCN1CCC(c2nc(-c3ccc4c(c3)C(C)(C)CC4(C)C)cs2)CC1
• InChI: InChI=1S/C27H40N2S/c1-6-7-8-9-14-29-15-12-20(13-16-29)25-28-24(18-30-25)21-10-11-22-23(17-21)27(4,5)19-26(22,2)3/h10-11,17-18,20H,6-9,12-16,19H2,1-5H3
• InChIKey: ZGVXVGFENCZUHV-UHFFFAOYSA-N
• XLogP: 7.53
• TPSA: 16.13 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.70
LogP ≤ 5	7.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(1-hexylpiperidin-4-yl)-4-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3-thiazole?

The IUPAC name of 2-(1-hexylpiperidin-4-yl)-4-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3-thiazole (CID 143916769) is 2-(1-hexylpiperidin-4-yl)-4-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3-thiazole.

What is the SMILES notation for 2-(1-hexylpiperidin-4-yl)-4-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3-thiazole?

The canonical SMILES for 2-(1-hexylpiperidin-4-yl)-4-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3-thiazole is CCCCCCN1CCC(c2nc(-c3ccc4c(c3)C(C)(C)CC4(C)C)cs2)CC1.

What is the InChIKey of 2-(1-hexylpiperidin-4-yl)-4-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3-thiazole?

The InChIKey is ZGVXVGFENCZUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N2S/c1-6-7-8-9-14-29-15-12-20(13-16-29)25-28-24(18-30-25)21-10-11-22-23(17-21)27(4,5)19-26(22,2)3/h10-11,17-18,20H,6-9,12-16,19H2,1-5H3.

What are the key properties of 2-(1-hexylpiperidin-4-yl)-4-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3-thiazole?

2-(1-hexylpiperidin-4-yl)-4-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3-thiazole has a molecular weight of 424.70 g/mol, XLogP of 7.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-hexylpiperidin-4-yl)-4-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3-thiazole is sourced from PubChem (CID 143916769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).