tert-butyl 2-[[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]oxymethyl]morpholine-4-carboxylate

C33H47N3O5S — CID 45107901

About tert-butyl 2-[[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]oxymethyl]morpholine-4-carboxylate

tert-butyl 2-[[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]oxymethyl]morpholine-4-carboxylate (PubChem CID 45107901) has the molecular formula C33H47N3O5S and a molecular weight of 597.82 g/mol. Its IUPAC name is tert-butyl 2-[[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]oxymethyl]morpholine-4-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 2-[[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]oxymethyl]morpholine-4-carboxylate
• PubChem CID: 45107901
• Molecular Formula: C33H47N3O5S
• Molecular Weight: 597.82 g/mol
• Exact Mass: 597.32
• IUPAC Name: tert-butyl 2-[[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]oxymethyl]morpholine-4-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCOC(COC(=O)N2CCC(c3nc(-c4ccc5c(c4)C(C)(C)CCC5(C)C)cs3)CC2)C1
• InChI: InChI=1S/C33H47N3O5S/c1-31(2,3)41-30(38)36-16-17-39-24(19-36)20-40-29(37)35-14-10-22(11-15-35)28-34-27(21-42-28)23-8-9-25-26(18-23)33(6,7)13-12-32(25,4)5/h8-9,18,21-22,24H,10-17,19-20H2,1-7H3
• InChIKey: RLQNGRVDHFNHKU-UHFFFAOYSA-N
• XLogP: 7.11
• TPSA: 81.20 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	597.82
LogP ≤ 5	7.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]oxymethyl]morpholine-4-carboxylate?

The IUPAC name of tert-butyl 2-[[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]oxymethyl]morpholine-4-carboxylate (CID 45107901) is tert-butyl 2-[[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]oxymethyl]morpholine-4-carboxylate.

What is the SMILES notation for tert-butyl 2-[[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]oxymethyl]morpholine-4-carboxylate?

The canonical SMILES for tert-butyl 2-[[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]oxymethyl]morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOC(COC(=O)N2CCC(c3nc(-c4ccc5c(c4)C(C)(C)CCC5(C)C)cs3)CC2)C1.

What is the InChIKey of tert-butyl 2-[[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]oxymethyl]morpholine-4-carboxylate?

The InChIKey is RLQNGRVDHFNHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H47N3O5S/c1-31(2,3)41-30(38)36-16-17-39-24(19-36)20-40-29(37)35-14-10-22(11-15-35)28-34-27(21-42-28)23-8-9-25-26(18-23)33(6,7)13-12-32(25,4)5/h8-9,18,21-22,24H,10-17,19-20H2,1-7H3.

What are the key properties of tert-butyl 2-[[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]oxymethyl]morpholine-4-carboxylate?

tert-butyl 2-[[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]oxymethyl]morpholine-4-carboxylate has a molecular weight of 597.82 g/mol, XLogP of 7.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]oxymethyl]morpholine-4-carboxylate is sourced from PubChem (CID 45107901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).