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

C13H14F2N2OS — CID 105019497

IUPAC1-[3-(difluoromethoxy)phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1csc(CC(N)c2cccc(OC(F)F)c2)n1
InChIInChI=1S/C13H14F2N2OS/c1-8-7-19-12(17-8)6-11(16)9-3-2-4-10(5-9)18-13(14)15/h2-5,7,11,13H,6,16H2,1H3
InChIKeyPJOUXGDTMHHDOA-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.30
Rot. Bonds5

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

1-[3-(difluoromethoxy)phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 105019497) has the molecular formula C13H14F2N2OS and a molecular weight of 284.33 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID105019497
Molecular FormulaC13H14F2N2OS
Molecular Weight284.33 g/mol
Exact Mass284.08
IUPAC Name1-[3-(difluoromethoxy)phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1csc(CC(N)c2cccc(OC(F)F)c2)n1
InChIInChI=1S/C13H14F2N2OS/c1-8-7-19-12(17-8)6-11(16)9-3-2-4-10(5-9)18-13(14)15/h2-5,7,11,13H,6,16H2,1H3
InChIKeyPJOUXGDTMHHDOA-UHFFFAOYSA-N
XLogP3.30
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 62795308
1-(3-iodophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019204
3-(difluoromethoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 115633699
2-(4-methyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol
CID 62918244
1-[3-(difluoromethoxy)phenyl]-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051297
1-[3-(difluoromethoxy)phenyl]-2-methoxyethanamine
CID 112684585
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 105019640
(1R)-1-[3-(difluoromethoxy)phenyl]-3-methylbutan-1-amine;hydrochloride
CID 171206124
ethyl (3R)-3-amino-3-[3-(difluoromethoxy)phenyl]propanoate
CID 171206155
2-(4-bromophenyl)-1-[3-(difluoromethoxy)phenyl]ethanamine
CID 61079788
1-[3-(difluoromethoxy)phenyl]-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999820
3-(3-chlorophenoxy)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 105171525

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 105019497) is 1-[3-(difluoromethoxy)phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is Cc1csc(CC(N)c2cccc(OC(F)F)c2)n1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is PJOUXGDTMHHDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2OS/c1-8-7-19-12(17-8)6-11(16)9-3-2-4-10(5-9)18-13(14)15/h2-5,7,11,13H,6,16H2,1H3.
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
1-[3-(difluoromethoxy)phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 284.33 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 105019497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).