3-(3,5-difluorophenyl)-N-ethyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine

C13H15F2N3OS — CID 166239120

IUPAC3-(3,5-difluorophenyl)-N-ethyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCCN(CCOC)c1nc(-c2cc(F)cc(F)c2)ns1
InChIInChI=1S/C13H15F2N3OS/c1-3-18(4-5-19-2)13-16-12(17-20-13)9-6-10(14)8-11(15)7-9/h6-8H,3-5H2,1-2H3
InChIKeyRLNBRZPQRRPDSJ-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.96
Rot. Bonds6

About 3-(3,5-difluorophenyl)-N-ethyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine

3-(3,5-difluorophenyl)-N-ethyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 166239120) has the molecular formula C13H15F2N3OS and a molecular weight of 299.35 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-N-ethyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-N-ethyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
PubChem CID166239120
Molecular FormulaC13H15F2N3OS
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC Name3-(3,5-difluorophenyl)-N-ethyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCCN(CCOC)c1nc(-c2cc(F)cc(F)c2)ns1
InChIInChI=1S/C13H15F2N3OS/c1-3-18(4-5-19-2)13-16-12(17-20-13)9-6-10(14)8-11(15)7-9/h6-8H,3-5H2,1-2H3
InChIKeyRLNBRZPQRRPDSJ-UHFFFAOYSA-N
XLogP2.96
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-N-ethyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(3,5-difluorophenyl)-N-ethyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine (CID 166239120) is 3-(3,5-difluorophenyl)-N-ethyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(3,5-difluorophenyl)-N-ethyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(3,5-difluorophenyl)-N-ethyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine is CCN(CCOC)c1nc(-c2cc(F)cc(F)c2)ns1.
What is the InChIKey of 3-(3,5-difluorophenyl)-N-ethyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is RLNBRZPQRRPDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3OS/c1-3-18(4-5-19-2)13-16-12(17-20-13)9-6-10(14)8-11(15)7-9/h6-8H,3-5H2,1-2H3.
What are the key properties of 3-(3,5-difluorophenyl)-N-ethyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
3-(3,5-difluorophenyl)-N-ethyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 299.35 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-N-ethyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 166239120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).