5-pyridin-2-yl-1-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one

C32H41N3OS — CID 143916682

About 5-pyridin-2-yl-1-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one

5-pyridin-2-yl-1-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one (PubChem CID 143916682) has the molecular formula C32H41N3OS and a molecular weight of 515.77 g/mol. Its IUPAC name is 5-pyridin-2-yl-1-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one.

Molecular Properties

• Compound Name: 5-pyridin-2-yl-1-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one
• PubChem CID: 143916682
• Molecular Formula: C32H41N3OS
• Molecular Weight: 515.77 g/mol
• Exact Mass: 515.30
• IUPAC Name: 5-pyridin-2-yl-1-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one
• SMILES: CC1(C)CCC(C)(C)c2cc(-c3csc(C4CCN(C(=O)CCCCc5ccccn5)CC4)n3)ccc21
• InChI: InChI=1S/C32H41N3OS/c1-31(2)16-17-32(3,4)27-21-24(12-13-26(27)31)28-22-37-30(34-28)23-14-19-35(20-15-23)29(36)11-6-5-9-25-10-7-8-18-33-25/h7-8,10,12-13,18,21-23H,5-6,9,11,14-17,19-20H2,1-4H3
• InChIKey: GVAIXVIPBJPSIP-UHFFFAOYSA-N
• XLogP: 7.67
• TPSA: 46.09 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.77
LogP ≤ 5	7.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-2-yl-1-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one?

The IUPAC name of 5-pyridin-2-yl-1-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one (CID 143916682) is 5-pyridin-2-yl-1-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one.

What is the SMILES notation for 5-pyridin-2-yl-1-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one?

The canonical SMILES for 5-pyridin-2-yl-1-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one is CC1(C)CCC(C)(C)c2cc(-c3csc(C4CCN(C(=O)CCCCc5ccccn5)CC4)n3)ccc21.

What is the InChIKey of 5-pyridin-2-yl-1-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one?

The InChIKey is GVAIXVIPBJPSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N3OS/c1-31(2)16-17-32(3,4)27-21-24(12-13-26(27)31)28-22-37-30(34-28)23-14-19-35(20-15-23)29(36)11-6-5-9-25-10-7-8-18-33-25/h7-8,10,12-13,18,21-23H,5-6,9,11,14-17,19-20H2,1-4H3.

What are the key properties of 5-pyridin-2-yl-1-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one?

5-pyridin-2-yl-1-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one has a molecular weight of 515.77 g/mol, XLogP of 7.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-pyridin-2-yl-1-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 143916682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).