tert-butyl-dimethyl-(3-methyl-2-tributylstannylimidazo[5,1-b][1,3]thiazol-7-yl)oxysilane

C24H46N2OSSiSn — CID 172813476

IUPACtert-butyl-dimethyl-(3-methyl-2-tributylstannylimidazo[5,1-b][1,3]thiazol-7-yl)oxysilane
SMILESCCCC[Sn](CCCC)(CCCC)c1sc2c(O[Si](C)(C)C(C)(C)C)ncn2c1C
InChIInChI=1S/C12H19N2OSSi.3C4H9.Sn/c1-9-7-16-11-10(13-8-14(9)11)15-17(5,6)12(2,3)4;3*1-3-4-2;/h8H,1-6H3;3*1,3-4H2,2H3;
InChIKeySMRCNNJQQSDKSD-UHFFFAOYSA-N
MW557.51 g/mol
LogP8.14
Rot. Bonds12

About tert-butyl-dimethyl-(3-methyl-2-tributylstannylimidazo[5,1-b][1,3]thiazol-7-yl)oxysilane

tert-butyl-dimethyl-(3-methyl-2-tributylstannylimidazo[5,1-b][1,3]thiazol-7-yl)oxysilane (PubChem CID 172813476) has the molecular formula C24H46N2OSSiSn and a molecular weight of 557.51 g/mol. Its IUPAC name is tert-butyl-dimethyl-(3-methyl-2-tributylstannylimidazo[5,1-b][1,3]thiazol-7-yl)oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(3-methyl-2-tributylstannylimidazo[5,1-b][1,3]thiazol-7-yl)oxysilane
PubChem CID172813476
Molecular FormulaC24H46N2OSSiSn
Molecular Weight557.51 g/mol
Exact Mass558.21
IUPAC Nametert-butyl-dimethyl-(3-methyl-2-tributylstannylimidazo[5,1-b][1,3]thiazol-7-yl)oxysilane
SMILESCCCC[Sn](CCCC)(CCCC)c1sc2c(O[Si](C)(C)C(C)(C)C)ncn2c1C
InChIInChI=1S/C12H19N2OSSi.3C4H9.Sn/c1-9-7-16-11-10(13-8-14(9)11)15-17(5,6)12(2,3)4;3*1-3-4-2;/h8H,1-6H3;3*1,3-4H2,2H3;
InChIKeySMRCNNJQQSDKSD-UHFFFAOYSA-N
XLogP8.14
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.51
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(3-methyl-2-tributylstannylimidazo[5,1-b][1,3]thiazol-7-yl)oxysilane?
The IUPAC name of tert-butyl-dimethyl-(3-methyl-2-tributylstannylimidazo[5,1-b][1,3]thiazol-7-yl)oxysilane (CID 172813476) is tert-butyl-dimethyl-(3-methyl-2-tributylstannylimidazo[5,1-b][1,3]thiazol-7-yl)oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-(3-methyl-2-tributylstannylimidazo[5,1-b][1,3]thiazol-7-yl)oxysilane?
The canonical SMILES for tert-butyl-dimethyl-(3-methyl-2-tributylstannylimidazo[5,1-b][1,3]thiazol-7-yl)oxysilane is CCCC[Sn](CCCC)(CCCC)c1sc2c(O[Si](C)(C)C(C)(C)C)ncn2c1C.
What is the InChIKey of tert-butyl-dimethyl-(3-methyl-2-tributylstannylimidazo[5,1-b][1,3]thiazol-7-yl)oxysilane?
The InChIKey is SMRCNNJQQSDKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N2OSSi.3C4H9.Sn/c1-9-7-16-11-10(13-8-14(9)11)15-17(5,6)12(2,3)4;3*1-3-4-2;/h8H,1-6H3;3*1,3-4H2,2H3;.
What are the key properties of tert-butyl-dimethyl-(3-methyl-2-tributylstannylimidazo[5,1-b][1,3]thiazol-7-yl)oxysilane?
tert-butyl-dimethyl-(3-methyl-2-tributylstannylimidazo[5,1-b][1,3]thiazol-7-yl)oxysilane has a molecular weight of 557.51 g/mol, XLogP of 8.14, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(3-methyl-2-tributylstannylimidazo[5,1-b][1,3]thiazol-7-yl)oxysilane is sourced from PubChem (CID 172813476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).