dimethyl-(7-methyl-1,3-benzothiazol-2-yl)-(5-methylfuran-3-yl)silane

C15H17NOSSi — CID 59787488

IUPACdimethyl-(7-methyl-1,3-benzothiazol-2-yl)-(5-methylfuran-3-yl)silane
SMILESCc1cc([Si](C)(C)c2nc3cccc(C)c3s2)co1
InChIInChI=1S/C15H17NOSSi/c1-10-6-5-7-13-14(10)18-15(16-13)19(3,4)12-8-11(2)17-9-12/h5-9H,1-4H3
InChIKeyCMFVGKWLAILXMY-UHFFFAOYSA-N
MW287.46 g/mol
LogP3.33
Rot. Bonds2

About dimethyl-(7-methyl-1,3-benzothiazol-2-yl)-(5-methylfuran-3-yl)silane

dimethyl-(7-methyl-1,3-benzothiazol-2-yl)-(5-methylfuran-3-yl)silane (PubChem CID 59787488) has the molecular formula C15H17NOSSi and a molecular weight of 287.46 g/mol. Its IUPAC name is dimethyl-(7-methyl-1,3-benzothiazol-2-yl)-(5-methylfuran-3-yl)silane.

Molecular Properties

Compound Namedimethyl-(7-methyl-1,3-benzothiazol-2-yl)-(5-methylfuran-3-yl)silane
PubChem CID59787488
Molecular FormulaC15H17NOSSi
Molecular Weight287.46 g/mol
Exact Mass287.08
IUPAC Namedimethyl-(7-methyl-1,3-benzothiazol-2-yl)-(5-methylfuran-3-yl)silane
SMILESCc1cc([Si](C)(C)c2nc3cccc(C)c3s2)co1
InChIInChI=1S/C15H17NOSSi/c1-10-6-5-7-13-14(10)18-15(16-13)19(3,4)12-8-11(2)17-9-12/h5-9H,1-4H3
InChIKeyCMFVGKWLAILXMY-UHFFFAOYSA-N
XLogP3.33
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.46
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 dimethyl-(7-methyl-1,3-benzothiazol-2-yl)-(5-methylfuran-3-yl)silane?
The IUPAC name of dimethyl-(7-methyl-1,3-benzothiazol-2-yl)-(5-methylfuran-3-yl)silane (CID 59787488) is dimethyl-(7-methyl-1,3-benzothiazol-2-yl)-(5-methylfuran-3-yl)silane.
What is the SMILES notation for dimethyl-(7-methyl-1,3-benzothiazol-2-yl)-(5-methylfuran-3-yl)silane?
The canonical SMILES for dimethyl-(7-methyl-1,3-benzothiazol-2-yl)-(5-methylfuran-3-yl)silane is Cc1cc([Si](C)(C)c2nc3cccc(C)c3s2)co1.
What is the InChIKey of dimethyl-(7-methyl-1,3-benzothiazol-2-yl)-(5-methylfuran-3-yl)silane?
The InChIKey is CMFVGKWLAILXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOSSi/c1-10-6-5-7-13-14(10)18-15(16-13)19(3,4)12-8-11(2)17-9-12/h5-9H,1-4H3.
What are the key properties of dimethyl-(7-methyl-1,3-benzothiazol-2-yl)-(5-methylfuran-3-yl)silane?
dimethyl-(7-methyl-1,3-benzothiazol-2-yl)-(5-methylfuran-3-yl)silane has a molecular weight of 287.46 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(7-methyl-1,3-benzothiazol-2-yl)-(5-methylfuran-3-yl)silane is sourced from PubChem (CID 59787488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).