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

C13H20N2O2SSi — CID 155570907

IUPACtert-butyl N-[4-(2-trimethylsilylethynyl)-1,3-thiazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(C#C[Si](C)(C)C)cs1
InChIInChI=1S/C13H20N2O2SSi/c1-13(2,3)17-12(16)15-11-14-10(9-18-11)7-8-19(4,5)6/h9H,1-6H3,(H,14,15,16)
InChIKeyGCNBGLLSFGCLEQ-UHFFFAOYSA-N
MW296.47 g/mol
LogP3.72
Rot. Bonds1

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

tert-butyl N-[4-(2-trimethylsilylethynyl)-1,3-thiazol-2-yl]carbamate (PubChem CID 155570907) has the molecular formula C13H20N2O2SSi and a molecular weight of 296.47 g/mol. Its IUPAC name is tert-butyl N-[4-(2-trimethylsilylethynyl)-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(2-trimethylsilylethynyl)-1,3-thiazol-2-yl]carbamate
PubChem CID155570907
Molecular FormulaC13H20N2O2SSi
Molecular Weight296.47 g/mol
Exact Mass296.10
IUPAC Nametert-butyl N-[4-(2-trimethylsilylethynyl)-1,3-thiazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(C#C[Si](C)(C)C)cs1
InChIInChI=1S/C13H20N2O2SSi/c1-13(2,3)17-12(16)15-11-14-10(9-18-11)7-8-19(4,5)6/h9H,1-6H3,(H,14,15,16)
InChIKeyGCNBGLLSFGCLEQ-UHFFFAOYSA-N
XLogP3.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 45117839
CID 45117839
CID 45117843
CID 45117843
CID 59570990
CID 59570990
CID 156815064
CID 156815064
CID 20719833
CID 20719833
CID 25219566
CID 25219566
CID 45117847
CID 45117847
CID 58221274
CID 58221274
CID 58266146
CID 58266146
CID 58554442
CID 58554442
CID 65142790
CID 65142790
CID 86630950
CID 86630950

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(2-trimethylsilylethynyl)-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(2-trimethylsilylethynyl)-1,3-thiazol-2-yl]carbamate (CID 155570907) is tert-butyl N-[4-(2-trimethylsilylethynyl)-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(2-trimethylsilylethynyl)-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(2-trimethylsilylethynyl)-1,3-thiazol-2-yl]carbamate is CC(C)(C)OC(=O)Nc1nc(C#C[Si](C)(C)C)cs1.
What is the InChIKey of tert-butyl N-[4-(2-trimethylsilylethynyl)-1,3-thiazol-2-yl]carbamate?
The InChIKey is GCNBGLLSFGCLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2SSi/c1-13(2,3)17-12(16)15-11-14-10(9-18-11)7-8-19(4,5)6/h9H,1-6H3,(H,14,15,16).
What are the key properties of tert-butyl N-[4-(2-trimethylsilylethynyl)-1,3-thiazol-2-yl]carbamate?
tert-butyl N-[4-(2-trimethylsilylethynyl)-1,3-thiazol-2-yl]carbamate has a molecular weight of 296.47 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(2-trimethylsilylethynyl)-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 155570907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).