1-(5-methylthiophen-2-yl)-N-[3-(trifluoromethyl)phenyl]methanimine

C13H10F3NS — CID 964575

IUPAC1-(5-methylthiophen-2-yl)-N-[3-(trifluoromethyl)phenyl]methanimine
SMILESCc1ccc(/C=N/c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C13H10F3NS/c1-9-5-6-12(18-9)8-17-11-4-2-3-10(7-11)13(14,15)16/h2-8H,1H3/b17-8+
InChIKeyZKBLFTTZIVTCME-CAOOACKPSA-N
MW269.29 g/mol
LogP4.83
Rot. Bonds2

About 1-(5-methylthiophen-2-yl)-N-[3-(trifluoromethyl)phenyl]methanimine

1-(5-methylthiophen-2-yl)-N-[3-(trifluoromethyl)phenyl]methanimine (PubChem CID 964575) has the molecular formula C13H10F3NS and a molecular weight of 269.29 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)-N-[3-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)-N-[3-(trifluoromethyl)phenyl]methanimine
PubChem CID964575
Molecular FormulaC13H10F3NS
Molecular Weight269.29 g/mol
Exact Mass269.05
IUPAC Name1-(5-methylthiophen-2-yl)-N-[3-(trifluoromethyl)phenyl]methanimine
SMILESCc1ccc(/C=N/c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C13H10F3NS/c1-9-5-6-12(18-9)8-17-11-4-2-3-10(7-11)13(14,15)16/h2-8H,1H3/b17-8+
InChIKeyZKBLFTTZIVTCME-CAOOACKPSA-N
XLogP4.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-methylfuran-2-yl)-N-[3-(trifluoromethyl)phenyl]methanimine
CID 4134232
5-methyl-4-[[3-(trifluoromethyl)phenyl]iminomethyl]-1,2-dihydropyrazol-3-one
CID 1485847
3-ethyl-4-hydroxy-5-[[3-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazole-2-thione
CID 4604201
4-hydroxy-3-propan-2-yl-5-[[3-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazol-2-one
CID 135941243
1-(3H-inden-1-yl)-N-[3-(trifluoromethyl)phenyl]methanimine
CID 159650311
N-[3-(trifluoromethyl)phenyl]-1-(3,4,5-trimethoxyphenyl)methanimine
CID 50885156
5-methyl-3-[[3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol
CID 136996538
N-hydroxy-N'-[3-(trifluoromethyl)phenyl]methanimidamide
CID 20763507
1-(5-methylthiophen-2-yl)-N-(4-propan-2-ylphenyl)methanimine
CID 2357426
1-[2-methyl-5-(trifluoromethyl)phenyl]-N-phenylmethanimine
CID 23340663
6-hydroxy-2-sulfanylidene-5-[[3-(trifluoromethyl)phenyl]iminomethyl]-1H-pyrimidin-4-one
CID 872788
4-bromo-2-methoxy-6-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 1377778

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)-N-[3-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of 1-(5-methylthiophen-2-yl)-N-[3-(trifluoromethyl)phenyl]methanimine (CID 964575) is 1-(5-methylthiophen-2-yl)-N-[3-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)-N-[3-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for 1-(5-methylthiophen-2-yl)-N-[3-(trifluoromethyl)phenyl]methanimine is Cc1ccc(/C=N/c2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)-N-[3-(trifluoromethyl)phenyl]methanimine?
The InChIKey is ZKBLFTTZIVTCME-CAOOACKPSA-N. The full InChI is InChI=1S/C13H10F3NS/c1-9-5-6-12(18-9)8-17-11-4-2-3-10(7-11)13(14,15)16/h2-8H,1H3/b17-8+.
What are the key properties of 1-(5-methylthiophen-2-yl)-N-[3-(trifluoromethyl)phenyl]methanimine?
1-(5-methylthiophen-2-yl)-N-[3-(trifluoromethyl)phenyl]methanimine has a molecular weight of 269.29 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)-N-[3-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 964575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).