tert-butyl-[(7-iodoimidazo[5,1-b][1,3]thiazol-3-yl)methoxy]-dimethylsilane

C12H19IN2OSSi — CID 22631614

IUPACtert-butyl-[(7-iodoimidazo[5,1-b][1,3]thiazol-3-yl)methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1csc2c(I)ncn12
InChIInChI=1S/C12H19IN2OSSi/c1-12(2,3)18(4,5)16-6-9-7-17-11-10(13)14-8-15(9)11/h7-8H,6H2,1-5H3
InChIKeyXRGFVQUTGDXPBI-UHFFFAOYSA-N
MW394.35 g/mol
LogP4.52
Rot. Bonds3

About tert-butyl-[(7-iodoimidazo[5,1-b][1,3]thiazol-3-yl)methoxy]-dimethylsilane

tert-butyl-[(7-iodoimidazo[5,1-b][1,3]thiazol-3-yl)methoxy]-dimethylsilane (PubChem CID 22631614) has the molecular formula C12H19IN2OSSi and a molecular weight of 394.35 g/mol. Its IUPAC name is tert-butyl-[(7-iodoimidazo[5,1-b][1,3]thiazol-3-yl)methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(7-iodoimidazo[5,1-b][1,3]thiazol-3-yl)methoxy]-dimethylsilane
PubChem CID22631614
Molecular FormulaC12H19IN2OSSi
Molecular Weight394.35 g/mol
Exact Mass394.00
IUPAC Nametert-butyl-[(7-iodoimidazo[5,1-b][1,3]thiazol-3-yl)methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1csc2c(I)ncn12
InChIInChI=1S/C12H19IN2OSSi/c1-12(2,3)18(4,5)16-6-9-7-17-11-10(13)14-8-15(9)11/h7-8H,6H2,1-5H3
InChIKeyXRGFVQUTGDXPBI-UHFFFAOYSA-N
XLogP4.52
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(2-iodo-1,3-thiazol-4-yl)methoxy]-dimethylsilane
CID 53416358
tert-butyl-[(5-iodoimidazo[2,1-b][1,3]thiazol-6-yl)methoxy]-dimethylsilane
CID 139890396
tert-butyl-[(4-iodophenyl)methoxy]-dimethylsilane
CID 10020633
tert-butyl-[(1-ethyl-1,2,4-triazol-3-yl)methoxy]-dimethylsilane
CID 69188963
tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]thiophen-3-yl]methoxy]-dimethylsilane
CID 10690703
tert-butyl-dimethyl-(3H-pyrrol-5-ylmethoxy)silane
CID 59493931
tert-butyl-dimethyl-[(4-pyridazin-4-ylphenyl)methoxy]silane
CID 18182550
tert-butyl-[(3-fluoro-4-iodo-2-pyridinyl)methoxy]-dimethylsilane
CID 162681170
tert-butyl-[[3-(2-isocyanoethyl)imidazol-4-yl]methoxy]-dimethylsilane
CID 20728224
(3-benzylimidazol-4-yl)methoxy-tert-butyl-dimethylsilane
CID 14410060
tert-butyl-[(3-iodophenyl)methoxy]-dimethylsilane
CID 66845200
tert-butyl-[(2-chloropyrimidin-5-yl)methoxy]-dimethylsilane
CID 140802501

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(7-iodoimidazo[5,1-b][1,3]thiazol-3-yl)methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(7-iodoimidazo[5,1-b][1,3]thiazol-3-yl)methoxy]-dimethylsilane (CID 22631614) is tert-butyl-[(7-iodoimidazo[5,1-b][1,3]thiazol-3-yl)methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(7-iodoimidazo[5,1-b][1,3]thiazol-3-yl)methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(7-iodoimidazo[5,1-b][1,3]thiazol-3-yl)methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1csc2c(I)ncn12.
What is the InChIKey of tert-butyl-[(7-iodoimidazo[5,1-b][1,3]thiazol-3-yl)methoxy]-dimethylsilane?
The InChIKey is XRGFVQUTGDXPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19IN2OSSi/c1-12(2,3)18(4,5)16-6-9-7-17-11-10(13)14-8-15(9)11/h7-8H,6H2,1-5H3.
What are the key properties of tert-butyl-[(7-iodoimidazo[5,1-b][1,3]thiazol-3-yl)methoxy]-dimethylsilane?
tert-butyl-[(7-iodoimidazo[5,1-b][1,3]thiazol-3-yl)methoxy]-dimethylsilane has a molecular weight of 394.35 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(7-iodoimidazo[5,1-b][1,3]thiazol-3-yl)methoxy]-dimethylsilane is sourced from PubChem (CID 22631614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).