1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]ethanamine

C14H15ClFN3S — CID 25189555

IUPAC1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]ethanamine
SMILESCC(NCc1snnc1C1CC1)c1c(F)cccc1Cl
InChIInChI=1S/C14H15ClFN3S/c1-8(13-10(15)3-2-4-11(13)16)17-7-12-14(9-5-6-9)18-19-20-12/h2-4,8-9,17H,5-7H2,1H3
InChIKeyACFMYEYCLJZLHW-UHFFFAOYSA-N
MW311.81 g/mol
LogP4.06
Rot. Bonds5

About 1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]ethanamine

1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]ethanamine (PubChem CID 25189555) has the molecular formula C14H15ClFN3S and a molecular weight of 311.81 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]ethanamine
PubChem CID25189555
Molecular FormulaC14H15ClFN3S
Molecular Weight311.81 g/mol
Exact Mass311.07
IUPAC Name1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]ethanamine
SMILESCC(NCc1snnc1C1CC1)c1c(F)cccc1Cl
InChIInChI=1S/C14H15ClFN3S/c1-8(13-10(15)3-2-4-11(13)16)17-7-12-14(9-5-6-9)18-19-20-12/h2-4,8-9,17H,5-7H2,1H3
InChIKeyACFMYEYCLJZLHW-UHFFFAOYSA-N
XLogP4.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]ethanamine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]ethanamine (CID 25189555) is 1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]ethanamine is CC(NCc1snnc1C1CC1)c1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]ethanamine?
The InChIKey is ACFMYEYCLJZLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3S/c1-8(13-10(15)3-2-4-11(13)16)17-7-12-14(9-5-6-9)18-19-20-12/h2-4,8-9,17H,5-7H2,1H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]ethanamine?
1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]ethanamine has a molecular weight of 311.81 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 25189555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).