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

C12H12F2N2S — CID 114031185

IUPAC2-(2,3-difluorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1ncc(C(N)Cc2cccc(F)c2F)s1
InChIInChI=1S/C12H12F2N2S/c1-7-16-6-11(17-7)10(15)5-8-3-2-4-9(13)12(8)14/h2-4,6,10H,5,15H2,1H3
InChIKeyRYZUHYITSATGOZ-UHFFFAOYSA-N
MW254.31 g/mol
LogP2.97
Rot. Bonds3

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

2-(2,3-difluorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 114031185) has the molecular formula C12H12F2N2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
PubChem CID114031185
Molecular FormulaC12H12F2N2S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name2-(2,3-difluorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1ncc(C(N)Cc2cccc(F)c2F)s1
InChIInChI=1S/C12H12F2N2S/c1-7-16-6-11(17-7)10(15)5-8-3-2-4-9(13)12(8)14/h2-4,6,10H,5,15H2,1H3
InChIKeyRYZUHYITSATGOZ-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-(2,6-difluorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 114031186
2-(2,3-difluorophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine
CID 107503218
2-(2,3-difluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 113329452
1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)ethanamine
CID 80530725
2-(2,3-difluorophenyl)-1-naphthalen-1-ylethanamine
CID 62715879
2-(2,3-difluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81279328
1-[3-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 112615879
1-(5-bromothiophen-3-yl)-2-(2,3-difluorophenyl)ethanamine
CID 105137743
2-(2,3-difluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105137687
3-(2,3-difluorophenyl)-1,1-dimethoxypropan-2-amine
CID 79493337
1,3-bis(2,3-difluorophenyl)propan-2-ol
CID 115788900
2-(2,3-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105137759

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 2-(2,3-difluorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine (CID 114031185) is 2-(2,3-difluorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(2,3-difluorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 2-(2,3-difluorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine is Cc1ncc(C(N)Cc2cccc(F)c2F)s1.
What is the InChIKey of 2-(2,3-difluorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is RYZUHYITSATGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2S/c1-7-16-6-11(17-7)10(15)5-8-3-2-4-9(13)12(8)14/h2-4,6,10H,5,15H2,1H3.
What are the key properties of 2-(2,3-difluorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine?
2-(2,3-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-(2,3-difluorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 114031185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).