N-(3-methyl-2-trimethylsilyloxyphenyl)-1-phenyl-1-thiophen-2-ylmethanimine

C21H23NOSSi — CID 90457448

IUPACN-(3-methyl-2-trimethylsilyloxyphenyl)-1-phenyl-1-thiophen-2-ylmethanimine
SMILESCc1cccc(/N=C(\c2ccccc2)c2cccs2)c1O[Si](C)(C)C
InChIInChI=1S/C21H23NOSSi/c1-16-10-8-13-18(21(16)23-25(2,3)4)22-20(19-14-9-15-24-19)17-11-6-5-7-12-17/h5-15H,1-4H3/b22-20+
InChIKeyPNZAWWBFUQPBJH-LSDHQDQOSA-N
MW365.57 g/mol
LogP6.44
Rot. Bonds5

About N-(3-methyl-2-trimethylsilyloxyphenyl)-1-phenyl-1-thiophen-2-ylmethanimine

N-(3-methyl-2-trimethylsilyloxyphenyl)-1-phenyl-1-thiophen-2-ylmethanimine (PubChem CID 90457448) has the molecular formula C21H23NOSSi and a molecular weight of 365.57 g/mol. Its IUPAC name is N-(3-methyl-2-trimethylsilyloxyphenyl)-1-phenyl-1-thiophen-2-ylmethanimine.

Molecular Properties

Compound NameN-(3-methyl-2-trimethylsilyloxyphenyl)-1-phenyl-1-thiophen-2-ylmethanimine
PubChem CID90457448
Molecular FormulaC21H23NOSSi
Molecular Weight365.57 g/mol
Exact Mass365.13
IUPAC NameN-(3-methyl-2-trimethylsilyloxyphenyl)-1-phenyl-1-thiophen-2-ylmethanimine
SMILESCc1cccc(/N=C(\c2ccccc2)c2cccs2)c1O[Si](C)(C)C
InChIInChI=1S/C21H23NOSSi/c1-16-10-8-13-18(21(16)23-25(2,3)4)22-20(19-14-9-15-24-19)17-11-6-5-7-12-17/h5-15H,1-4H3/b22-20+
InChIKeyPNZAWWBFUQPBJH-LSDHQDQOSA-N
XLogP6.44
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.57
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-trimethylsilyloxyphenyl)-1-phenyl-1-thiophen-2-ylmethanimine?
The IUPAC name of N-(3-methyl-2-trimethylsilyloxyphenyl)-1-phenyl-1-thiophen-2-ylmethanimine (CID 90457448) is N-(3-methyl-2-trimethylsilyloxyphenyl)-1-phenyl-1-thiophen-2-ylmethanimine.
What is the SMILES notation for N-(3-methyl-2-trimethylsilyloxyphenyl)-1-phenyl-1-thiophen-2-ylmethanimine?
The canonical SMILES for N-(3-methyl-2-trimethylsilyloxyphenyl)-1-phenyl-1-thiophen-2-ylmethanimine is Cc1cccc(/N=C(\c2ccccc2)c2cccs2)c1O[Si](C)(C)C.
What is the InChIKey of N-(3-methyl-2-trimethylsilyloxyphenyl)-1-phenyl-1-thiophen-2-ylmethanimine?
The InChIKey is PNZAWWBFUQPBJH-LSDHQDQOSA-N. The full InChI is InChI=1S/C21H23NOSSi/c1-16-10-8-13-18(21(16)23-25(2,3)4)22-20(19-14-9-15-24-19)17-11-6-5-7-12-17/h5-15H,1-4H3/b22-20+.
What are the key properties of N-(3-methyl-2-trimethylsilyloxyphenyl)-1-phenyl-1-thiophen-2-ylmethanimine?
N-(3-methyl-2-trimethylsilyloxyphenyl)-1-phenyl-1-thiophen-2-ylmethanimine has a molecular weight of 365.57 g/mol, XLogP of 6.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-trimethylsilyloxyphenyl)-1-phenyl-1-thiophen-2-ylmethanimine is sourced from PubChem (CID 90457448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).