1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(1,3-thiazol-2-yl)ethanamine

C13H14F2N2OS — CID 105015149

IUPAC1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
SMILESCNC(Cc1nccs1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H14F2N2OS/c1-16-11(8-12-17-6-7-19-12)9-2-4-10(5-3-9)18-13(14)15/h2-7,11,13,16H,8H2,1H3
InChIKeyGSYXXZVJFPGLSS-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.25
Rot. Bonds6

About 1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(1,3-thiazol-2-yl)ethanamine

1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 105015149) has the molecular formula C13H14F2N2OS and a molecular weight of 284.33 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
PubChem CID105015149
Molecular FormulaC13H14F2N2OS
Molecular Weight284.33 g/mol
Exact Mass284.08
IUPAC Name1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
SMILESCNC(Cc1nccs1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H14F2N2OS/c1-16-11(8-12-17-6-7-19-12)9-2-4-10(5-3-9)18-13(14)15/h2-7,11,13,16H,8H2,1H3
InChIKeyGSYXXZVJFPGLSS-UHFFFAOYSA-N
XLogP3.25
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011486
1-[4-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 43280106
N-methyl-1-pyrimidin-5-yl-2-(1,3-thiazol-2-yl)ethanamine
CID 102923665
[1-(4-butoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105324666
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 62796188
1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107065279
2-(2-bromophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylethanamine
CID 115787231
N-ethyl-1-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79824465
1-(2-bromo-5-methoxyphenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105169297
1-(5-ethylthiophen-2-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105015058
N-methyl-1-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79824383
1-(furan-2-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 79825248

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(1,3-thiazol-2-yl)ethanamine (CID 105015149) is 1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(1,3-thiazol-2-yl)ethanamine is CNC(Cc1nccs1)c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is GSYXXZVJFPGLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2OS/c1-16-11(8-12-17-6-7-19-12)9-2-4-10(5-3-9)18-13(14)15/h2-7,11,13,16H,8H2,1H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(1,3-thiazol-2-yl)ethanamine?
1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 284.33 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 105015149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).