1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-difluorophenyl)ethanamine

C14H17F2N3S — CID 105117237

IUPAC1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-difluorophenyl)ethanamine
SMILESCC(C)(C)c1nnsc1C(N)Cc1ccc(F)cc1F
InChIInChI=1S/C14H17F2N3S/c1-14(2,3)13-12(20-19-18-13)11(17)6-8-4-5-9(15)7-10(8)16/h4-5,7,11H,6,17H2,1-3H3
InChIKeyXOQDBEYUIZQFII-UHFFFAOYSA-N
MW297.37 g/mol
LogP3.36
Rot. Bonds3

About 1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-difluorophenyl)ethanamine

1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-difluorophenyl)ethanamine (PubChem CID 105117237) has the molecular formula C14H17F2N3S and a molecular weight of 297.37 g/mol. Its IUPAC name is 1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-difluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-difluorophenyl)ethanamine
PubChem CID105117237
Molecular FormulaC14H17F2N3S
Molecular Weight297.37 g/mol
Exact Mass297.11
IUPAC Name1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-difluorophenyl)ethanamine
SMILESCC(C)(C)c1nnsc1C(N)Cc1ccc(F)cc1F
InChIInChI=1S/C14H17F2N3S/c1-14(2,3)13-12(20-19-18-13)11(17)6-8-4-5-9(15)7-10(8)16/h4-5,7,11H,6,17H2,1-3H3
InChIKeyXOQDBEYUIZQFII-UHFFFAOYSA-N
XLogP3.36
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butylthiadiazol-5-yl)-2-(2,6-difluorophenyl)ethanamine
CID 105190570
2-(4-bromo-2-chlorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine
CID 105181669
1-(4-tert-butylthiadiazol-5-yl)-2-(2,5-difluorophenyl)ethanol
CID 105081122
[1-(4-tert-butylthiadiazol-5-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105340927
1-(4-tert-butylthiadiazol-5-yl)-2-(2-chlorophenyl)ethanamine
CID 105096256
[1-(4-tert-butylthiadiazol-5-yl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine
CID 105295283
2-(2-bromo-5-methoxyphenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine
CID 105150953
1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanamine
CID 64560038
1-(2,4-difluorophenyl)-3,3-dimethylbutan-2-amine
CID 62195909
2-(5-fluoro-2-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105377301
1-(2,4-difluorophenyl)propan-2-amine;hydrochloride
CID 155973682
1-(4-tert-butylthiadiazol-5-yl)pentan-1-amine
CID 105125244

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-difluorophenyl)ethanamine?
The IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-difluorophenyl)ethanamine (CID 105117237) is 1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-difluorophenyl)ethanamine.
What is the SMILES notation for 1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-difluorophenyl)ethanamine?
The canonical SMILES for 1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-difluorophenyl)ethanamine is CC(C)(C)c1nnsc1C(N)Cc1ccc(F)cc1F.
What is the InChIKey of 1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-difluorophenyl)ethanamine?
The InChIKey is XOQDBEYUIZQFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3S/c1-14(2,3)13-12(20-19-18-13)11(17)6-8-4-5-9(15)7-10(8)16/h4-5,7,11H,6,17H2,1-3H3.
What are the key properties of 1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-difluorophenyl)ethanamine?
1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-difluorophenyl)ethanamine has a molecular weight of 297.37 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-difluorophenyl)ethanamine is sourced from PubChem (CID 105117237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).