2-(2,6-difluorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine

C12H12F2N2S — CID 114031186

IUPAC2-(2,6-difluorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1ncc(C(N)Cc2c(F)cccc2F)s1
InChIInChI=1S/C12H12F2N2S/c1-7-16-6-12(17-7)11(15)5-8-9(13)3-2-4-10(8)14/h2-4,6,11H,5,15H2,1H3
InChIKeyPBWFXWXRYSKPJI-UHFFFAOYSA-N
MW254.31 g/mol
LogP2.97
Rot. Bonds3

About 2-(2,6-difluorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine

2-(2,6-difluorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 114031186) has the molecular formula C12H12F2N2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
PubChem CID114031186
Molecular FormulaC12H12F2N2S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name2-(2,6-difluorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1ncc(C(N)Cc2c(F)cccc2F)s1
InChIInChI=1S/C12H12F2N2S/c1-7-16-6-12(17-7)11(15)5-8-9(13)3-2-4-10(8)14/h2-4,6,11H,5,15H2,1H3
InChIKeyPBWFXWXRYSKPJI-UHFFFAOYSA-N
XLogP2.97
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-difluorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 114031185
2-(2-chloro-6-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106783196
2-(2,6-difluorophenyl)-1-pyrimidin-5-ylethanamine
CID 115826917
[2-(3-bromo-2,6-difluorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]hydrazine
CID 106271662
1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 102827194
2-(2,6-difluorophenyl)-1-pyridin-2-ylethanamine
CID 114931758
(3R)-3-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid
CID 96749685
2-(2-chloro-6-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105106036
1-(2,6-difluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-amine
CID 105019585
1-[3-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 112615879
2-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 106274076
1-(4-tert-butylthiadiazol-5-yl)-2-(2,6-difluorophenyl)ethanamine
CID 105190570

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 2-(2,6-difluorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine (CID 114031186) is 2-(2,6-difluorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 2-(2,6-difluorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine is Cc1ncc(C(N)Cc2c(F)cccc2F)s1.
What is the InChIKey of 2-(2,6-difluorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is PBWFXWXRYSKPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2S/c1-7-16-6-12(17-7)11(15)5-8-9(13)3-2-4-10(8)14/h2-4,6,11H,5,15H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine?
2-(2,6-difluorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 254.31 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 114031186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).