1-(2,4-difluorophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine

C14H16F2N2S — CID 63238825

IUPAC1-(2,4-difluorophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
SMILESCc1csc(CCNC(C)c2ccc(F)cc2F)n1
InChIInChI=1S/C14H16F2N2S/c1-9-8-19-14(18-9)5-6-17-10(2)12-4-3-11(15)7-13(12)16/h3-4,7-8,10,17H,5-6H2,1-2H3
InChIKeyVVLYDWTZIGVXSI-UHFFFAOYSA-N
MW282.36 g/mol
LogP3.62
Rot. Bonds5

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

1-(2,4-difluorophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine (PubChem CID 63238825) has the molecular formula C14H16F2N2S and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
PubChem CID63238825
Molecular FormulaC14H16F2N2S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name1-(2,4-difluorophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
SMILESCc1csc(CCNC(C)c2ccc(F)cc2F)n1
InChIInChI=1S/C14H16F2N2S/c1-9-8-19-14(18-9)5-6-17-10(2)12-4-3-11(15)7-13(12)16/h3-4,7-8,10,17H,5-6H2,1-2H3
InChIKeyVVLYDWTZIGVXSI-UHFFFAOYSA-N
XLogP3.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-difluorophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 63238824
(1R)-1-(2-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 81379728
4-fluoro-2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112702374
1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethanamine
CID 43177273
1-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 54912925
N,N-dimethyl-4-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]aniline
CID 63238583
N-[1-(2,4-difluorophenyl)ethyl]but-3-en-1-amine
CID 115899500
1-(4-methyl-1,3-thiazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 63238630
4-(3-methylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine
CID 63238721
N-[1-(2,4-difluorophenyl)ethyl]-3-methylsulfanylbutan-1-amine
CID 113261034
1-(2,5-dimethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 54913361
N-[1-(2-fluoro-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105019318

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine (CID 63238825) is 1-(2,4-difluorophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine is Cc1csc(CCNC(C)c2ccc(F)cc2F)n1.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine?
The InChIKey is VVLYDWTZIGVXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2S/c1-9-8-19-14(18-9)5-6-17-10(2)12-4-3-11(15)7-13(12)16/h3-4,7-8,10,17H,5-6H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine?
1-(2,4-difluorophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine has a molecular weight of 282.36 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine is sourced from PubChem (CID 63238825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).