methyl-(5-methyl-1,3-benzothiazol-2-yl)-(5-methylfuran-3-yl)-pyrrol-1-ylsilane

C18H18N2OSSi — CID 59787460

IUPACmethyl-(5-methyl-1,3-benzothiazol-2-yl)-(5-methylfuran-3-yl)-pyrrol-1-ylsilane
SMILESCc1ccc2sc([Si](C)(c3coc(C)c3)n3cccc3)nc2c1
InChIInChI=1S/C18H18N2OSSi/c1-13-6-7-17-16(10-13)19-18(22-17)23(3,20-8-4-5-9-20)15-11-14(2)21-12-15/h4-12H,1-3H3
InChIKeyCVIDKSAWYBVVSN-UHFFFAOYSA-N
MW338.51 g/mol
LogP3.55
Rot. Bonds3

About methyl-(5-methyl-1,3-benzothiazol-2-yl)-(5-methylfuran-3-yl)-pyrrol-1-ylsilane

methyl-(5-methyl-1,3-benzothiazol-2-yl)-(5-methylfuran-3-yl)-pyrrol-1-ylsilane (PubChem CID 59787460) has the molecular formula C18H18N2OSSi and a molecular weight of 338.51 g/mol. Its IUPAC name is methyl-(5-methyl-1,3-benzothiazol-2-yl)-(5-methylfuran-3-yl)-pyrrol-1-ylsilane.

Molecular Properties

Compound Namemethyl-(5-methyl-1,3-benzothiazol-2-yl)-(5-methylfuran-3-yl)-pyrrol-1-ylsilane
PubChem CID59787460
Molecular FormulaC18H18N2OSSi
Molecular Weight338.51 g/mol
Exact Mass338.09
IUPAC Namemethyl-(5-methyl-1,3-benzothiazol-2-yl)-(5-methylfuran-3-yl)-pyrrol-1-ylsilane
SMILESCc1ccc2sc([Si](C)(c3coc(C)c3)n3cccc3)nc2c1
InChIInChI=1S/C18H18N2OSSi/c1-13-6-7-17-16(10-13)19-18(22-17)23(3,20-8-4-5-9-20)15-11-14(2)21-12-15/h4-12H,1-3H3
InChIKeyCVIDKSAWYBVVSN-UHFFFAOYSA-N
XLogP3.55
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.51
LogP ≤ 53.55
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 methyl-(5-methyl-1,3-benzothiazol-2-yl)-(5-methylfuran-3-yl)-pyrrol-1-ylsilane?
The IUPAC name of methyl-(5-methyl-1,3-benzothiazol-2-yl)-(5-methylfuran-3-yl)-pyrrol-1-ylsilane (CID 59787460) is methyl-(5-methyl-1,3-benzothiazol-2-yl)-(5-methylfuran-3-yl)-pyrrol-1-ylsilane.
What is the SMILES notation for methyl-(5-methyl-1,3-benzothiazol-2-yl)-(5-methylfuran-3-yl)-pyrrol-1-ylsilane?
The canonical SMILES for methyl-(5-methyl-1,3-benzothiazol-2-yl)-(5-methylfuran-3-yl)-pyrrol-1-ylsilane is Cc1ccc2sc([Si](C)(c3coc(C)c3)n3cccc3)nc2c1.
What is the InChIKey of methyl-(5-methyl-1,3-benzothiazol-2-yl)-(5-methylfuran-3-yl)-pyrrol-1-ylsilane?
The InChIKey is CVIDKSAWYBVVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OSSi/c1-13-6-7-17-16(10-13)19-18(22-17)23(3,20-8-4-5-9-20)15-11-14(2)21-12-15/h4-12H,1-3H3.
What are the key properties of methyl-(5-methyl-1,3-benzothiazol-2-yl)-(5-methylfuran-3-yl)-pyrrol-1-ylsilane?
methyl-(5-methyl-1,3-benzothiazol-2-yl)-(5-methylfuran-3-yl)-pyrrol-1-ylsilane has a molecular weight of 338.51 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(5-methyl-1,3-benzothiazol-2-yl)-(5-methylfuran-3-yl)-pyrrol-1-ylsilane is sourced from PubChem (CID 59787460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).