trimethyl-[2-[[6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane

C16H22N4OSSi — CID 162491551

IUPACtrimethyl-[2-[[6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
SMILESCc1nnc(-c2ccc3ccn(COCC[Si](C)(C)C)c3n2)s1
InChIInChI=1S/C16H22N4OSSi/c1-12-18-19-16(22-12)14-6-5-13-7-8-20(15(13)17-14)11-21-9-10-23(2,3)4/h5-8H,9-11H2,1-4H3
InChIKeyVIIGIJYFEYXVPJ-UHFFFAOYSA-N
MW346.53 g/mol
LogP4.18
Rot. Bonds6

About trimethyl-[2-[[6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (PubChem CID 162491551) has the molecular formula C16H22N4OSSi and a molecular weight of 346.53 g/mol. Its IUPAC name is trimethyl-[2-[[6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
PubChem CID162491551
Molecular FormulaC16H22N4OSSi
Molecular Weight346.53 g/mol
Exact Mass346.13
IUPAC Nametrimethyl-[2-[[6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
SMILESCc1nnc(-c2ccc3ccn(COCC[Si](C)(C)C)c3n2)s1
InChIInChI=1S/C16H22N4OSSi/c1-12-18-19-16(22-12)14-6-5-13-7-8-20(15(13)17-14)11-21-9-10-23(2,3)4/h5-8H,9-11H2,1-4H3
InChIKeyVIIGIJYFEYXVPJ-UHFFFAOYSA-N
XLogP4.18
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.53
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (CID 162491551) is trimethyl-[2-[[6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is Cc1nnc(-c2ccc3ccn(COCC[Si](C)(C)C)c3n2)s1.
What is the InChIKey of trimethyl-[2-[[6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The InChIKey is VIIGIJYFEYXVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OSSi/c1-12-18-19-16(22-12)14-6-5-13-7-8-20(15(13)17-14)11-21-9-10-23(2,3)4/h5-8H,9-11H2,1-4H3.
What are the key properties of trimethyl-[2-[[6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane has a molecular weight of 346.53 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 162491551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).