1-(4-tert-butylthiadiazol-5-yl)-2-(2,6-difluorophenyl)ethanamine

C14H17F2N3S — CID 105190570

IUPAC1-(4-tert-butylthiadiazol-5-yl)-2-(2,6-difluorophenyl)ethanamine
SMILESCC(C)(C)c1nnsc1C(N)Cc1c(F)cccc1F
InChIInChI=1S/C14H17F2N3S/c1-14(2,3)13-12(20-19-18-13)11(17)7-8-9(15)5-4-6-10(8)16/h4-6,11H,7,17H2,1-3H3
InChIKeyWCIHFKRJAZUPPI-UHFFFAOYSA-N
MW297.37 g/mol
LogP3.36
Rot. Bonds3

About 1-(4-tert-butylthiadiazol-5-yl)-2-(2,6-difluorophenyl)ethanamine

1-(4-tert-butylthiadiazol-5-yl)-2-(2,6-difluorophenyl)ethanamine (PubChem CID 105190570) 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-(2,6-difluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-tert-butylthiadiazol-5-yl)-2-(2,6-difluorophenyl)ethanamine
PubChem CID105190570
Molecular FormulaC14H17F2N3S
Molecular Weight297.37 g/mol
Exact Mass297.11
IUPAC Name1-(4-tert-butylthiadiazol-5-yl)-2-(2,6-difluorophenyl)ethanamine
SMILESCC(C)(C)c1nnsc1C(N)Cc1c(F)cccc1F
InChIInChI=1S/C14H17F2N3S/c1-14(2,3)13-12(20-19-18-13)11(17)7-8-9(15)5-4-6-10(8)16/h4-6,11H,7,17H2,1-3H3
InChIKeyWCIHFKRJAZUPPI-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)ethyl]hydrazine
CID 105342938
1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-difluorophenyl)ethanamine
CID 105117237
2-(2,6-difluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105190680
2-(2-chloro-6-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105106036
1-(4-tert-butylthiadiazol-5-yl)-2-(2-chlorophenyl)ethanamine
CID 105096256
2-(2-bromo-3-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylethanamine
CID 105172170
1-(4-tert-butylthiadiazol-5-yl)pentan-1-amine
CID 105125244
2-(3-bromo-2,6-difluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanol
CID 106274403
2-(4-bromo-2-chlorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine
CID 105181669
(3-bromo-2-fluorophenyl)-(4-tert-butylthiadiazol-5-yl)methanamine
CID 106647587
2-(2-bromo-5-methoxyphenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine
CID 105150953
(4-tert-butylthiadiazol-5-yl)-[3-(2-methylpropyl)phenyl]methanamine
CID 105188050

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-2-(2,6-difluorophenyl)ethanamine?
The IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-2-(2,6-difluorophenyl)ethanamine (CID 105190570) is 1-(4-tert-butylthiadiazol-5-yl)-2-(2,6-difluorophenyl)ethanamine.
What is the SMILES notation for 1-(4-tert-butylthiadiazol-5-yl)-2-(2,6-difluorophenyl)ethanamine?
The canonical SMILES for 1-(4-tert-butylthiadiazol-5-yl)-2-(2,6-difluorophenyl)ethanamine is CC(C)(C)c1nnsc1C(N)Cc1c(F)cccc1F.
What is the InChIKey of 1-(4-tert-butylthiadiazol-5-yl)-2-(2,6-difluorophenyl)ethanamine?
The InChIKey is WCIHFKRJAZUPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3S/c1-14(2,3)13-12(20-19-18-13)11(17)7-8-9(15)5-4-6-10(8)16/h4-6,11H,7,17H2,1-3H3.
What are the key properties of 1-(4-tert-butylthiadiazol-5-yl)-2-(2,6-difluorophenyl)ethanamine?
1-(4-tert-butylthiadiazol-5-yl)-2-(2,6-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-(2,6-difluorophenyl)ethanamine is sourced from PubChem (CID 105190570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).