1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide

C25H42N4O3S2Si — CID 23560043

IUPAC1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCN(CCO[Si](C)(C)C(C)(C)C)CC3)s2)o1
InChIInChI=1S/C25H42N4O3S2Si/c1-24(2,3)19-15-26-20(32-19)17-33-21-16-27-23(34-21)28-22(30)18-9-11-29(12-10-18)13-14-31-35(7,8)25(4,5)6/h15-16,18H,9-14,17H2,1-8H3,(H,27,28,30)
InChIKeySIJJBDAIXLFJRV-UHFFFAOYSA-N
MW538.86 g/mol
LogP6.39
Rot. Bonds9

About 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide

1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 23560043) has the molecular formula C25H42N4O3S2Si and a molecular weight of 538.86 g/mol. Its IUPAC name is 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID23560043
Molecular FormulaC25H42N4O3S2Si
Molecular Weight538.86 g/mol
Exact Mass538.25
IUPAC Name1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCN(CCO[Si](C)(C)C(C)(C)C)CC3)s2)o1
InChIInChI=1S/C25H42N4O3S2Si/c1-24(2,3)19-15-26-20(32-19)17-33-21-16-27-23(34-21)28-22(30)18-9-11-29(12-10-18)13-14-31-35(7,8)25(4,5)6/h15-16,18H,9-14,17H2,1-8H3,(H,27,28,30)
InChIKeySIJJBDAIXLFJRV-UHFFFAOYSA-N
XLogP6.39
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.86
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 23560043) is 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide is CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCN(CCO[Si](C)(C)C(C)(C)C)CC3)s2)o1.
What is the InChIKey of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is SIJJBDAIXLFJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N4O3S2Si/c1-24(2,3)19-15-26-20(32-19)17-33-21-16-27-23(34-21)28-22(30)18-9-11-29(12-10-18)13-14-31-35(7,8)25(4,5)6/h15-16,18H,9-14,17H2,1-8H3,(H,27,28,30).
What are the key properties of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 538.86 g/mol, XLogP of 6.39, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 23560043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).