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

C13H15F2N3S — CID 105190680

IUPAC2-(2,6-difluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanamine
SMILESCCCc1nnsc1C(N)Cc1c(F)cccc1F
InChIInChI=1S/C13H15F2N3S/c1-2-4-12-13(19-18-17-12)11(16)7-8-9(14)5-3-6-10(8)15/h3,5-6,11H,2,4,7,16H2,1H3
InChIKeyWSZMQBIQPVJFMK-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.01
Rot. Bonds5

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

2-(2,6-difluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanamine (PubChem CID 105190680) has the molecular formula C13H15F2N3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanamine
PubChem CID105190680
Molecular FormulaC13H15F2N3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name2-(2,6-difluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanamine
SMILESCCCc1nnsc1C(N)Cc1c(F)cccc1F
InChIInChI=1S/C13H15F2N3S/c1-2-4-12-13(19-18-17-12)11(16)7-8-9(14)5-3-6-10(8)15/h3,5-6,11H,2,4,7,16H2,1H3
InChIKeyWSZMQBIQPVJFMK-UHFFFAOYSA-N
XLogP3.01
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.01
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-(2-chloro-6-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105106036
[(2,6-difluorophenyl)-(4-propylthiadiazol-5-yl)methyl]hydrazine
CID 105308059
[2-(2,6-difluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethyl]hydrazine
CID 105342906
2-(1-methylbenzimidazol-2-yl)-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105164911
2-(3-chloro-2-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanamine
CID 102866349
(2,6-difluoro-3-methylphenyl)-(4-propylthiadiazol-5-yl)methanamine
CID 105175924
1-(4-ethylthiadiazol-5-yl)-2-phenylethanamine
CID 105084360
(3-fluoro-4-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine
CID 105144608
3-methyl-1-(4-propylthiadiazol-5-yl)but-3-en-1-amine
CID 105163170
[1-(4-tert-butylthiadiazol-5-yl)-2-(2,6-difluorophenyl)ethyl]hydrazine
CID 105342938
2-(2-bromophenyl)-1-(4-ethylthiadiazol-5-yl)ethanamine
CID 105087328

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanamine?
The IUPAC name of 2-(2,6-difluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanamine (CID 105190680) is 2-(2,6-difluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(2,6-difluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanamine is CCCc1nnsc1C(N)Cc1c(F)cccc1F.
What is the InChIKey of 2-(2,6-difluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanamine?
The InChIKey is WSZMQBIQPVJFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3S/c1-2-4-12-13(19-18-17-12)11(16)7-8-9(14)5-3-6-10(8)15/h3,5-6,11H,2,4,7,16H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanamine?
2-(2,6-difluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanamine has a molecular weight of 283.35 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanamine is sourced from PubChem (CID 105190680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).