2-(2-amino-1,3-thiazol-4-yl)-N-[tert-butyl(diphenyl)silyl]oxyacetamide

C21H25N3O2SSi — CID 20795943

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-[tert-butyl(diphenyl)silyl]oxyacetamide
SMILESCC(C)(C)[Si](ONC(=O)Cc1csc(N)n1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25N3O2SSi/c1-21(2,3)28(17-10-6-4-7-11-17,18-12-8-5-9-13-18)26-24-19(25)14-16-15-27-20(22)23-16/h4-13,15H,14H2,1-3H3,(H2,22,23)(H,24,25)
InChIKeyHBJFAQKTXFBDCN-UHFFFAOYSA-N
MW411.60 g/mol
LogP2.88
Rot. Bonds6

About 2-(2-amino-1,3-thiazol-4-yl)-N-[tert-butyl(diphenyl)silyl]oxyacetamide

2-(2-amino-1,3-thiazol-4-yl)-N-[tert-butyl(diphenyl)silyl]oxyacetamide (PubChem CID 20795943) has the molecular formula C21H25N3O2SSi and a molecular weight of 411.60 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-[tert-butyl(diphenyl)silyl]oxyacetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-[tert-butyl(diphenyl)silyl]oxyacetamide
PubChem CID20795943
Molecular FormulaC21H25N3O2SSi
Molecular Weight411.60 g/mol
Exact Mass411.14
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-[tert-butyl(diphenyl)silyl]oxyacetamide
SMILESCC(C)(C)[Si](ONC(=O)Cc1csc(N)n1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25N3O2SSi/c1-21(2,3)28(17-10-6-4-7-11-17,18-12-8-5-9-13-18)26-24-19(25)14-16-15-27-20(22)23-16/h4-13,15H,14H2,1-3H3,(H2,22,23)(H,24,25)
InChIKeyHBJFAQKTXFBDCN-UHFFFAOYSA-N
XLogP2.88
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.60
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[tert-butyl(diphenyl)silyl]oxyacetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[tert-butyl(diphenyl)silyl]oxyacetamide (CID 20795943) is 2-(2-amino-1,3-thiazol-4-yl)-N-[tert-butyl(diphenyl)silyl]oxyacetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-[tert-butyl(diphenyl)silyl]oxyacetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-[tert-butyl(diphenyl)silyl]oxyacetamide is CC(C)(C)[Si](ONC(=O)Cc1csc(N)n1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-[tert-butyl(diphenyl)silyl]oxyacetamide?
The InChIKey is HBJFAQKTXFBDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2SSi/c1-21(2,3)28(17-10-6-4-7-11-17,18-12-8-5-9-13-18)26-24-19(25)14-16-15-27-20(22)23-16/h4-13,15H,14H2,1-3H3,(H2,22,23)(H,24,25).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-[tert-butyl(diphenyl)silyl]oxyacetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-[tert-butyl(diphenyl)silyl]oxyacetamide has a molecular weight of 411.60 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-[tert-butyl(diphenyl)silyl]oxyacetamide is sourced from PubChem (CID 20795943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).