tert-butyl N-[4-[[methyl(trimethylsilyloxy)phosphoryl]methyl]-1,3-thiazol-2-yl]carbamate

C13H25N2O4PSSi — CID 58266146

IUPACtert-butyl N-[4-[[methyl(trimethylsilyloxy)phosphoryl]methyl]-1,3-thiazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(CP(C)(=O)O[Si](C)(C)C)cs1
InChIInChI=1S/C13H25N2O4PSSi/c1-13(2,3)18-12(16)15-11-14-10(9-21-11)8-20(4,17)19-22(5,6)7/h9H,8H2,1-7H3,(H,14,15,16)
InChIKeySCVCSQHQYNGHNR-UHFFFAOYSA-N
MW364.48 g/mol
LogP4.75
Rot. Bonds5

About tert-butyl N-[4-[[methyl(trimethylsilyloxy)phosphoryl]methyl]-1,3-thiazol-2-yl]carbamate

tert-butyl N-[4-[[methyl(trimethylsilyloxy)phosphoryl]methyl]-1,3-thiazol-2-yl]carbamate (PubChem CID 58266146) has the molecular formula C13H25N2O4PSSi and a molecular weight of 364.48 g/mol. Its IUPAC name is tert-butyl N-[4-[[methyl(trimethylsilyloxy)phosphoryl]methyl]-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[methyl(trimethylsilyloxy)phosphoryl]methyl]-1,3-thiazol-2-yl]carbamate
PubChem CID58266146
Molecular FormulaC13H25N2O4PSSi
Molecular Weight364.48 g/mol
Exact Mass364.10
IUPAC Nametert-butyl N-[4-[[methyl(trimethylsilyloxy)phosphoryl]methyl]-1,3-thiazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(CP(C)(=O)O[Si](C)(C)C)cs1
InChIInChI=1S/C13H25N2O4PSSi/c1-13(2,3)18-12(16)15-11-14-10(9-21-11)8-20(4,17)19-22(5,6)7/h9H,8H2,1-7H3,(H,14,15,16)
InChIKeySCVCSQHQYNGHNR-UHFFFAOYSA-N
XLogP4.75
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl N-[4-[[methyl(trimethylsilyloxy)phosphoryl]methyl]-1,3-thiazol-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[methyl(trimethylsilyloxy)phosphoryl]methyl]-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[[methyl(trimethylsilyloxy)phosphoryl]methyl]-1,3-thiazol-2-yl]carbamate (CID 58266146) is tert-butyl N-[4-[[methyl(trimethylsilyloxy)phosphoryl]methyl]-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[methyl(trimethylsilyloxy)phosphoryl]methyl]-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[methyl(trimethylsilyloxy)phosphoryl]methyl]-1,3-thiazol-2-yl]carbamate is CC(C)(C)OC(=O)Nc1nc(CP(C)(=O)O[Si](C)(C)C)cs1.
What is the InChIKey of tert-butyl N-[4-[[methyl(trimethylsilyloxy)phosphoryl]methyl]-1,3-thiazol-2-yl]carbamate?
The InChIKey is SCVCSQHQYNGHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N2O4PSSi/c1-13(2,3)18-12(16)15-11-14-10(9-21-11)8-20(4,17)19-22(5,6)7/h9H,8H2,1-7H3,(H,14,15,16).
What are the key properties of tert-butyl N-[4-[[methyl(trimethylsilyloxy)phosphoryl]methyl]-1,3-thiazol-2-yl]carbamate?
tert-butyl N-[4-[[methyl(trimethylsilyloxy)phosphoryl]methyl]-1,3-thiazol-2-yl]carbamate has a molecular weight of 364.48 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[methyl(trimethylsilyloxy)phosphoryl]methyl]-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 58266146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).