tert-butyl-[(5-iodoimidazo[2,1-b][1,3]thiazol-6-yl)methoxy]-dimethylsilane

C12H19IN2OSSi — CID 139890396

IUPACtert-butyl-[(5-iodoimidazo[2,1-b][1,3]thiazol-6-yl)methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1nc2sccn2c1I
InChIInChI=1S/C12H19IN2OSSi/c1-12(2,3)18(4,5)16-8-9-10(13)15-6-7-17-11(15)14-9/h6-7H,8H2,1-5H3
InChIKeyUJZKXKNPVRIOIP-UHFFFAOYSA-N
MW394.35 g/mol
LogP4.52
Rot. Bonds3

About tert-butyl-[(5-iodoimidazo[2,1-b][1,3]thiazol-6-yl)methoxy]-dimethylsilane

tert-butyl-[(5-iodoimidazo[2,1-b][1,3]thiazol-6-yl)methoxy]-dimethylsilane (PubChem CID 139890396) has the molecular formula C12H19IN2OSSi and a molecular weight of 394.35 g/mol. Its IUPAC name is tert-butyl-[(5-iodoimidazo[2,1-b][1,3]thiazol-6-yl)methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(5-iodoimidazo[2,1-b][1,3]thiazol-6-yl)methoxy]-dimethylsilane
PubChem CID139890396
Molecular FormulaC12H19IN2OSSi
Molecular Weight394.35 g/mol
Exact Mass394.00
IUPAC Nametert-butyl-[(5-iodoimidazo[2,1-b][1,3]thiazol-6-yl)methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1nc2sccn2c1I
InChIInChI=1S/C12H19IN2OSSi/c1-12(2,3)18(4,5)16-8-9-10(13)15-6-7-17-11(15)14-9/h6-7H,8H2,1-5H3
InChIKeyUJZKXKNPVRIOIP-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

(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 82503893
2-[5-[(tert-butylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylethanol
CID 63809975
7-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470636
2-methyl-N-[(6-morpholin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine
CID 63059424
[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-3-pyridinyl]boronic acid
CID 140786801
2-methyl-N-[(6-pyrazol-1-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine
CID 63070369
2-methyl-N-[(6-thiophen-2-ylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine
CID 63804994
6-iodo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 66753571
N-[4-bromo-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-3-(methoxymethyl)-1,3-thiazol-2-imine
CID 68679187
tert-butyl N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]carbamate
CID 107237222
methyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate
CID 648108
tert-butyl-dimethyl-(8-thiophen-2-yloctoxy)silane
CID 140913096

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(5-iodoimidazo[2,1-b][1,3]thiazol-6-yl)methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(5-iodoimidazo[2,1-b][1,3]thiazol-6-yl)methoxy]-dimethylsilane (CID 139890396) is tert-butyl-[(5-iodoimidazo[2,1-b][1,3]thiazol-6-yl)methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(5-iodoimidazo[2,1-b][1,3]thiazol-6-yl)methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(5-iodoimidazo[2,1-b][1,3]thiazol-6-yl)methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1nc2sccn2c1I.
What is the InChIKey of tert-butyl-[(5-iodoimidazo[2,1-b][1,3]thiazol-6-yl)methoxy]-dimethylsilane?
The InChIKey is UJZKXKNPVRIOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19IN2OSSi/c1-12(2,3)18(4,5)16-8-9-10(13)15-6-7-17-11(15)14-9/h6-7H,8H2,1-5H3.
What are the key properties of tert-butyl-[(5-iodoimidazo[2,1-b][1,3]thiazol-6-yl)methoxy]-dimethylsilane?
tert-butyl-[(5-iodoimidazo[2,1-b][1,3]thiazol-6-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-[(5-iodoimidazo[2,1-b][1,3]thiazol-6-yl)methoxy]-dimethylsilane is sourced from PubChem (CID 139890396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).