2-(3-chloro-2-fluorophenyl)-1-(thiadiazol-5-yl)ethanamine

C10H9ClFN3S — CID 102866724

IUPAC2-(3-chloro-2-fluorophenyl)-1-(thiadiazol-5-yl)ethanamine
SMILESNC(Cc1cccc(Cl)c1F)c1cnns1
InChIInChI=1S/C10H9ClFN3S/c11-7-3-1-2-6(10(7)12)4-8(13)9-5-14-15-16-9/h1-3,5,8H,4,13H2
InChIKeyYBGJLDQBYGVYKB-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.57
Rot. Bonds3

About 2-(3-chloro-2-fluorophenyl)-1-(thiadiazol-5-yl)ethanamine

2-(3-chloro-2-fluorophenyl)-1-(thiadiazol-5-yl)ethanamine (PubChem CID 102866724) has the molecular formula C10H9ClFN3S and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(thiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(thiadiazol-5-yl)ethanamine
PubChem CID102866724
Molecular FormulaC10H9ClFN3S
Molecular Weight257.72 g/mol
Exact Mass257.02
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(thiadiazol-5-yl)ethanamine
SMILESNC(Cc1cccc(Cl)c1F)c1cnns1
InChIInChI=1S/C10H9ClFN3S/c11-7-3-1-2-6(10(7)12)4-8(13)9-5-14-15-16-9/h1-3,5,8H,4,13H2
InChIKeyYBGJLDQBYGVYKB-UHFFFAOYSA-N
XLogP2.57
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluoro-3-methoxyphenyl)-1-(thiadiazol-5-yl)ethanamine
CID 105180643
2-(3-chloro-2-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanamine
CID 102866349
2-(3-chloro-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine
CID 102866882
2-(3-chloro-2-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 82806473
2-(4-fluorophenyl)-1-(thiadiazol-5-yl)ethanamine
CID 105087109
1-(3-bromo-2-chlorophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102866631
2-(3-chloro-2-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 82806137
1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-amine
CID 82805455
1-(2-chloro-3-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102866438
1-(3-chloro-2-fluorophenyl)-2-(2-fluorophenyl)ethanamine
CID 64713277
2-(3-chloro-2-fluorophenyl)-1-(5-chloro-2-fluorophenyl)ethanamine
CID 102858038
[2-(2,3-difluorophenyl)-1-(thiadiazol-5-yl)ethyl]hydrazine
CID 105297891

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(thiadiazol-5-yl)ethanamine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(thiadiazol-5-yl)ethanamine (CID 102866724) is 2-(3-chloro-2-fluorophenyl)-1-(thiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(thiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(thiadiazol-5-yl)ethanamine is NC(Cc1cccc(Cl)c1F)c1cnns1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(thiadiazol-5-yl)ethanamine?
The InChIKey is YBGJLDQBYGVYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3S/c11-7-3-1-2-6(10(7)12)4-8(13)9-5-14-15-16-9/h1-3,5,8H,4,13H2.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(thiadiazol-5-yl)ethanamine?
2-(3-chloro-2-fluorophenyl)-1-(thiadiazol-5-yl)ethanamine has a molecular weight of 257.72 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(thiadiazol-5-yl)ethanamine is sourced from PubChem (CID 102866724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).