(2S)-2-amino-4-hydroxy-N-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butanamide;2-[4-[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]piperazin-1-yl]ethanol;5-[2-hydroxyethyl-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]pentan-1-ol

C81H121N11O5S3 — CID 157478866

About (2S)-2-amino-4-hydroxy-N-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butanamide;2-[4-[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]piperazin-1-yl]ethanol;5-[2-hydroxyethyl-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]pentan-1-ol

(2S)-2-amino-4-hydroxy-N-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butanamide;2-[4-[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]piperazin-1-yl]ethanol;5-[2-hydroxyethyl-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]pentan-1-ol (PubChem CID 157478866) has the molecular formula C81H121N11O5S3 and a molecular weight of 1425.13 g/mol. Its IUPAC name is (2S)-2-amino-4-hydroxy-N-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butanamide;2-[4-[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]piperazin-1-yl]ethanol;5-[2-hydroxyethyl-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]pentan-1-ol.

Molecular Properties

• Compound Name: (2S)-2-amino-4-hydroxy-N-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butanamide;2-[4-[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]piperazin-1-yl]ethanol;5-[2-hydroxyethyl-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]pentan-1-ol
• PubChem CID: 157478866
• Molecular Formula: C81H121N11O5S3
• Molecular Weight: 1425.13 g/mol
• Exact Mass: 1423.87
• IUPAC Name: (2S)-2-amino-4-hydroxy-N-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butanamide;2-[4-[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]piperazin-1-yl]ethanol;5-[2-hydroxyethyl-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]pentan-1-ol
• SMILES: CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(N(CCO)CCCCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(NC(=O)[C@@H](N)CCO)CC4)n3)ccc21.CC1(C)CCCc2cc(-c3csc(N4CCC(N5CCN(CCO)CC5)CC4)n3)ccc21
• InChI: InChI=1S/C29H45N3O2S.C26H38N4O2S.C26H38N4OS/c1-28(2)12-13-29(3,4)25-20-22(8-9-24(25)28)26-21-35-27(30-26)32-15-10-23(11-16-32)31(17-19-34)14-6-5-7-18-33;1-25(2)10-11-26(3,4)20-15-17(5-6-19(20)25)22-16-33-24(29-22)30-12-7-18(8-13-30)28-23(32)21(27)9-14-31;1-26(2)9-3-4-20-18-21(5-6-23(20)26)24-19-32-25(27-24)30-10-7-22(8-11-30)29-14-12-28(13-15-29)16-17-31/h8-9,20-21,23,33-34H,5-7,10-19H2,1-4H3;5-6,15-16,18,21,31H,7-14,27H2,1-4H3,(H,28,32);5-6,18-19,22,31H,3-4,7-17H2,1-2H3/t;21-;/m.0./s1
• InChIKey: BVXQOQGYTWXNOE-DZCMEYCUSA-N
• XLogP: 13.54
• TPSA: 194.15 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 21
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1425.13
LogP ≤ 5	13.54
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-hydroxy-N-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butanamide;2-[4-[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]piperazin-1-yl]ethanol;5-[2-hydroxyethyl-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]pentan-1-ol?

The IUPAC name of (2S)-2-amino-4-hydroxy-N-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butanamide;2-[4-[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]piperazin-1-yl]ethanol;5-[2-hydroxyethyl-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]pentan-1-ol (CID 157478866) is (2S)-2-amino-4-hydroxy-N-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butanamide;2-[4-[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]piperazin-1-yl]ethanol;5-[2-hydroxyethyl-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]pentan-1-ol.

What is the SMILES notation for (2S)-2-amino-4-hydroxy-N-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butanamide;2-[4-[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]piperazin-1-yl]ethanol;5-[2-hydroxyethyl-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]pentan-1-ol?

The canonical SMILES for (2S)-2-amino-4-hydroxy-N-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butanamide;2-[4-[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]piperazin-1-yl]ethanol;5-[2-hydroxyethyl-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]pentan-1-ol is CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(N(CCO)CCCCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(NC(=O)[C@@H](N)CCO)CC4)n3)ccc21.CC1(C)CCCc2cc(-c3csc(N4CCC(N5CCN(CCO)CC5)CC4)n3)ccc21.

What is the InChIKey of (2S)-2-amino-4-hydroxy-N-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butanamide;2-[4-[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]piperazin-1-yl]ethanol;5-[2-hydroxyethyl-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]pentan-1-ol?

The InChIKey is BVXQOQGYTWXNOE-DZCMEYCUSA-N. The full InChI is InChI=1S/C29H45N3O2S.C26H38N4O2S.C26H38N4OS/c1-28(2)12-13-29(3,4)25-20-22(8-9-24(25)28)26-21-35-27(30-26)32-15-10-23(11-16-32)31(17-19-34)14-6-5-7-18-33;1-25(2)10-11-26(3,4)20-15-17(5-6-19(20)25)22-16-33-24(29-22)30-12-7-18(8-13-30)28-23(32)21(27)9-14-31;1-26(2)9-3-4-20-18-21(5-6-23(20)26)24-19-32-25(27-24)30-10-7-22(8-11-30)29-14-12-28(13-15-29)16-17-31/h8-9,20-21,23,33-34H,5-7,10-19H2,1-4H3;5-6,15-16,18,21,31H,7-14,27H2,1-4H3,(H,28,32);5-6,18-19,22,31H,3-4,7-17H2,1-2H3/t;21-;/m.0./s1.

What are the key properties of (2S)-2-amino-4-hydroxy-N-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butanamide;2-[4-[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]piperazin-1-yl]ethanol;5-[2-hydroxyethyl-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]pentan-1-ol?

(2S)-2-amino-4-hydroxy-N-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butanamide;2-[4-[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]piperazin-1-yl]ethanol;5-[2-hydroxyethyl-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]pentan-1-ol has a molecular weight of 1425.13 g/mol, XLogP of 13.54, 21 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-amino-4-hydroxy-N-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butanamide;2-[4-[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]piperazin-1-yl]ethanol;5-[2-hydroxyethyl-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]pentan-1-ol is sourced from PubChem (CID 157478866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).