2-(4-chloro-3-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine

C11H11ClFN3S — CID 107891535

IUPAC2-(4-chloro-3-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine
SMILESCc1nnsc1C(N)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C11H11ClFN3S/c1-6-11(17-16-15-6)10(14)5-7-2-3-8(12)9(13)4-7/h2-4,10H,5,14H2,1H3
InChIKeyMYKZLUORSXDFNE-UHFFFAOYSA-N
MW271.75 g/mol
LogP2.88
Rot. Bonds3

About 2-(4-chloro-3-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine

2-(4-chloro-3-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine (PubChem CID 107891535) has the molecular formula C11H11ClFN3S and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine
PubChem CID107891535
Molecular FormulaC11H11ClFN3S
Molecular Weight271.75 g/mol
Exact Mass271.03
IUPAC Name2-(4-chloro-3-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine
SMILESCc1nnsc1C(N)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C11H11ClFN3S/c1-6-11(17-16-15-6)10(14)5-7-2-3-8(12)9(13)4-7/h2-4,10H,5,14H2,1H3
InChIKeyMYKZLUORSXDFNE-UHFFFAOYSA-N
XLogP2.88
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105106036
2-(4-chloro-3-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 107891668
2-(4-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine
CID 107891606
2-(3-chloro-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine
CID 102866882
2-(4-chloro-3-fluorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine
CID 107885041
2-(4-chloro-3-fluorophenyl)-1-pyridin-4-ylethanamine
CID 114012684
1-(4-bromo-3,5-dimethylphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107885245
2-(5-fluoro-2-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105377301
2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine
CID 107885313
2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethanol
CID 105084474
1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107892584
1-(4-chloro-3-fluorophenyl)-3-methylbutan-2-amine
CID 115347398

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine (CID 107891535) is 2-(4-chloro-3-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine is Cc1nnsc1C(N)Cc1ccc(Cl)c(F)c1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine?
The InChIKey is MYKZLUORSXDFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3S/c1-6-11(17-16-15-6)10(14)5-7-2-3-8(12)9(13)4-7/h2-4,10H,5,14H2,1H3.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine?
2-(4-chloro-3-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine has a molecular weight of 271.75 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine is sourced from PubChem (CID 107891535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).