2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-ethylthiadiazol-5-yl)ethanamine

C14H17ClFN3S — CID 102622719

IUPAC2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-ethylthiadiazol-5-yl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1Cl)c1snnc1CC
InChIInChI=1S/C14H17ClFN3S/c1-3-12-14(20-19-18-12)13(17-4-2)8-9-7-10(16)5-6-11(9)15/h5-7,13,17H,3-4,8H2,1-2H3
InChIKeyRQOLWEJGHCKPHL-UHFFFAOYSA-N
MW313.83 g/mol
LogP3.79
Rot. Bonds6

About 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-ethylthiadiazol-5-yl)ethanamine

2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-ethylthiadiazol-5-yl)ethanamine (PubChem CID 102622719) has the molecular formula C14H17ClFN3S and a molecular weight of 313.83 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-ethylthiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-ethylthiadiazol-5-yl)ethanamine
PubChem CID102622719
Molecular FormulaC14H17ClFN3S
Molecular Weight313.83 g/mol
Exact Mass313.08
IUPAC Name2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-ethylthiadiazol-5-yl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1Cl)c1snnc1CC
InChIInChI=1S/C14H17ClFN3S/c1-3-12-14(20-19-18-12)13(17-4-2)8-9-7-10(16)5-6-11(9)15/h5-7,13,17H,3-4,8H2,1-2H3
InChIKeyRQOLWEJGHCKPHL-UHFFFAOYSA-N
XLogP3.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]methanamine
CID 25189824
N-[(1R)-1-(2-chloro-6-fluorophenyl)ethyl]-4-methylthiadiazole-5-carboxamide
CID 177647628
1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]ethanamine
CID 25189555
(1R)-1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]ethanamine
CID 25189556
(1S)-1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]ethanamine
CID 25189557
1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]pentan-1-amine
CID 25189623
1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]-1-phenylmethanamine
CID 25189624
2-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]propan-2-amine
CID 57659806
(1S)-1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]pentan-1-amine
CID 130290785
(1R)-1-(2-chloro-6-fluorophenyl)-N'-[(4-cyclopropylthiadiazol-5-yl)methyl]methanediamine
CID 130291116
(2E,4Z,6Z)-1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]octa-2,4,6-trien-1-amine
CID 135225016
1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 25189625

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-ethylthiadiazol-5-yl)ethanamine?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-ethylthiadiazol-5-yl)ethanamine (CID 102622719) is 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-ethylthiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-ethylthiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-ethylthiadiazol-5-yl)ethanamine is CCNC(Cc1cc(F)ccc1Cl)c1snnc1CC.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-ethylthiadiazol-5-yl)ethanamine?
The InChIKey is RQOLWEJGHCKPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3S/c1-3-12-14(20-19-18-12)13(17-4-2)8-9-7-10(16)5-6-11(9)15/h5-7,13,17H,3-4,8H2,1-2H3.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-ethylthiadiazol-5-yl)ethanamine?
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-ethylthiadiazol-5-yl)ethanamine has a molecular weight of 313.83 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-ethylthiadiazol-5-yl)ethanamine is sourced from PubChem (CID 102622719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).