2-[3-[tert-butyl(diphenyl)silyl]oxypyrrolidin-1-yl]-1,3-thiazole-4-carboxamide

C24H29N3O2SSi — CID 22242729

IUPAC2-[3-[tert-butyl(diphenyl)silyl]oxypyrrolidin-1-yl]-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)[Si](OC1CCN(c2nc(C(N)=O)cs2)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H29N3O2SSi/c1-24(2,3)31(19-10-6-4-7-11-19,20-12-8-5-9-13-20)29-18-14-15-27(16-18)23-26-21(17-30-23)22(25)28/h4-13,17-18H,14-16H2,1-3H3,(H2,25,28)
InChIKeyAOPYAHZFSCCUBB-UHFFFAOYSA-N
MW451.67 g/mol
LogP3.40
Rot. Bonds6

About 2-[3-[tert-butyl(diphenyl)silyl]oxypyrrolidin-1-yl]-1,3-thiazole-4-carboxamide

2-[3-[tert-butyl(diphenyl)silyl]oxypyrrolidin-1-yl]-1,3-thiazole-4-carboxamide (PubChem CID 22242729) has the molecular formula C24H29N3O2SSi and a molecular weight of 451.67 g/mol. Its IUPAC name is 2-[3-[tert-butyl(diphenyl)silyl]oxypyrrolidin-1-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[3-[tert-butyl(diphenyl)silyl]oxypyrrolidin-1-yl]-1,3-thiazole-4-carboxamide
PubChem CID22242729
Molecular FormulaC24H29N3O2SSi
Molecular Weight451.67 g/mol
Exact Mass451.17
IUPAC Name2-[3-[tert-butyl(diphenyl)silyl]oxypyrrolidin-1-yl]-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)[Si](OC1CCN(c2nc(C(N)=O)cs2)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H29N3O2SSi/c1-24(2,3)31(19-10-6-4-7-11-19,20-12-8-5-9-13-20)29-18-14-15-27(16-18)23-26-21(17-30-23)22(25)28/h4-13,17-18H,14-16H2,1-3H3,(H2,25,28)
InChIKeyAOPYAHZFSCCUBB-UHFFFAOYSA-N
XLogP3.40
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.67
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-[3-[tert-butyl(diphenyl)silyl]oxypyrrolidin-1-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[3-[tert-butyl(diphenyl)silyl]oxypyrrolidin-1-yl]-1,3-thiazole-4-carboxamide (CID 22242729) is 2-[3-[tert-butyl(diphenyl)silyl]oxypyrrolidin-1-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[3-[tert-butyl(diphenyl)silyl]oxypyrrolidin-1-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[3-[tert-butyl(diphenyl)silyl]oxypyrrolidin-1-yl]-1,3-thiazole-4-carboxamide is CC(C)(C)[Si](OC1CCN(c2nc(C(N)=O)cs2)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[3-[tert-butyl(diphenyl)silyl]oxypyrrolidin-1-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is AOPYAHZFSCCUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2SSi/c1-24(2,3)31(19-10-6-4-7-11-19,20-12-8-5-9-13-20)29-18-14-15-27(16-18)23-26-21(17-30-23)22(25)28/h4-13,17-18H,14-16H2,1-3H3,(H2,25,28).
What are the key properties of 2-[3-[tert-butyl(diphenyl)silyl]oxypyrrolidin-1-yl]-1,3-thiazole-4-carboxamide?
2-[3-[tert-butyl(diphenyl)silyl]oxypyrrolidin-1-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 451.67 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[tert-butyl(diphenyl)silyl]oxypyrrolidin-1-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 22242729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).