2-(3,5-difluorophenyl)-N-methyl-1-(1,3-thiazol-5-yl)ethanamine

C12H12F2N2S — CID 105406726

IUPAC2-(3,5-difluorophenyl)-N-methyl-1-(1,3-thiazol-5-yl)ethanamine
SMILESCNC(Cc1cc(F)cc(F)c1)c1cncs1
InChIInChI=1S/C12H12F2N2S/c1-15-11(12-6-16-7-17-12)4-8-2-9(13)5-10(14)3-8/h2-3,5-7,11,15H,4H2,1H3
InChIKeyWXOYHBOIRLSWIT-UHFFFAOYSA-N
MW254.31 g/mol
LogP2.92
Rot. Bonds4

About 2-(3,5-difluorophenyl)-N-methyl-1-(1,3-thiazol-5-yl)ethanamine

2-(3,5-difluorophenyl)-N-methyl-1-(1,3-thiazol-5-yl)ethanamine (PubChem CID 105406726) has the molecular formula C12H12F2N2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N-methyl-1-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-N-methyl-1-(1,3-thiazol-5-yl)ethanamine
PubChem CID105406726
Molecular FormulaC12H12F2N2S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name2-(3,5-difluorophenyl)-N-methyl-1-(1,3-thiazol-5-yl)ethanamine
SMILESCNC(Cc1cc(F)cc(F)c1)c1cncs1
InChIInChI=1S/C12H12F2N2S/c1-15-11(12-6-16-7-17-12)4-8-2-9(13)5-10(14)3-8/h2-3,5-7,11,15H,4H2,1H3
InChIKeyWXOYHBOIRLSWIT-UHFFFAOYSA-N
XLogP2.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenyl)-N-methyl-1-(1,3-thiazol-5-yl)ethanamine
CID 82923273
2-(4-chloro-3-fluorophenyl)-N-methyl-1-(1,3-thiazol-5-yl)ethanamine
CID 107885005
N-methyl-2-pyridin-3-yl-1-(1,3-thiazol-5-yl)ethanamine
CID 104736641
2-(3,5-difluorophenyl)-N-methyl-1-pyrimidin-5-ylethanamine
CID 55078368
2-(3,5-difluorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylethanamine
CID 105412321
[2-(3,5-dimethylphenyl)-1-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105253712
3-(methylamino)-3-(1,3-thiazol-5-yl)propan-1-ol
CID 83816401
2-(3,5-difluorophenyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine
CID 105406856
N-methyl-2-(1,3-thiazol-5-yl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105030553
1-(5-bromothiophen-3-yl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105412702
[1-(3,5-difluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-yl]hydrazine
CID 105206643
2-(3,5-difluorophenyl)-1-(3-ethyl-4-pyridinyl)-N-methylethanamine
CID 105406867

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-N-methyl-1-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 2-(3,5-difluorophenyl)-N-methyl-1-(1,3-thiazol-5-yl)ethanamine (CID 105406726) is 2-(3,5-difluorophenyl)-N-methyl-1-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-N-methyl-1-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 2-(3,5-difluorophenyl)-N-methyl-1-(1,3-thiazol-5-yl)ethanamine is CNC(Cc1cc(F)cc(F)c1)c1cncs1.
What is the InChIKey of 2-(3,5-difluorophenyl)-N-methyl-1-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is WXOYHBOIRLSWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2S/c1-15-11(12-6-16-7-17-12)4-8-2-9(13)5-10(14)3-8/h2-3,5-7,11,15H,4H2,1H3.
What are the key properties of 2-(3,5-difluorophenyl)-N-methyl-1-(1,3-thiazol-5-yl)ethanamine?
2-(3,5-difluorophenyl)-N-methyl-1-(1,3-thiazol-5-yl)ethanamine has a molecular weight of 254.31 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-N-methyl-1-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 105406726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).