2-(2-chloro-6-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine

C11H11ClFN3S — CID 105106036

IUPAC2-(2-chloro-6-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine
SMILESCc1nnsc1C(N)Cc1c(F)cccc1Cl
InChIInChI=1S/C11H11ClFN3S/c1-6-11(17-16-15-6)10(14)5-7-8(12)3-2-4-9(7)13/h2-4,10H,5,14H2,1H3
InChIKeyBCHSNDPDBFDRSI-UHFFFAOYSA-N
MW271.75 g/mol
LogP2.88
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine

2-(2-chloro-6-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine (PubChem CID 105106036) has the molecular formula C11H11ClFN3S and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine
PubChem CID105106036
Molecular FormulaC11H11ClFN3S
Molecular Weight271.75 g/mol
Exact Mass271.03
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine
SMILESCc1nnsc1C(N)Cc1c(F)cccc1Cl
InChIInChI=1S/C11H11ClFN3S/c1-6-11(17-16-15-6)10(14)5-7-8(12)3-2-4-9(7)13/h2-4,10H,5,14H2,1H3
InChIKeyBCHSNDPDBFDRSI-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-(3-chloro-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine
CID 102866882
2-(4-chloro-3-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine
CID 107891535
1-(4-tert-butylthiadiazol-5-yl)-2-(2,6-difluorophenyl)ethanamine
CID 105190570
2-(2,6-difluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105190680
(2,6-difluorophenyl)-(4-methylthiadiazol-5-yl)methanamine
CID 105149466
2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanamine
CID 43344854
2-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 55138858
5-(2-chloro-6-fluorophenyl)-4-methylpentan-2-amine
CID 64721399
1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 102827194
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 114650316
1-chloro-2-(2-chloropropyl)-3-fluorobenzene
CID 63016068
2-(3-chloro-2-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanamine
CID 102866349

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine (CID 105106036) is 2-(2-chloro-6-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine is Cc1nnsc1C(N)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine?
The InChIKey is BCHSNDPDBFDRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3S/c1-6-11(17-16-15-6)10(14)5-7-8(12)3-2-4-9(7)13/h2-4,10H,5,14H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine?
2-(2-chloro-6-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-(2-chloro-6-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine is sourced from PubChem (CID 105106036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).