2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(3-fluorophenyl)ethanamine

C12H14FN3S2 — CID 107525442

IUPAC2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(3-fluorophenyl)ethanamine
SMILESCCc1nsc(SCC(N)c2cccc(F)c2)n1
InChIInChI=1S/C12H14FN3S2/c1-2-11-15-12(18-16-11)17-7-10(14)8-4-3-5-9(13)6-8/h3-6,10H,2,7,14H2,1H3
InChIKeyBWTYWEZQPKIGJY-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.03
Rot. Bonds5

About 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(3-fluorophenyl)ethanamine

2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(3-fluorophenyl)ethanamine (PubChem CID 107525442) has the molecular formula C12H14FN3S2 and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(3-fluorophenyl)ethanamine
PubChem CID107525442
Molecular FormulaC12H14FN3S2
Molecular Weight283.40 g/mol
Exact Mass283.06
IUPAC Name2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(3-fluorophenyl)ethanamine
SMILESCCc1nsc(SCC(N)c2cccc(F)c2)n1
InChIInChI=1S/C12H14FN3S2/c1-2-11-15-12(18-16-11)17-7-10(14)8-4-3-5-9(13)6-8/h3-6,10H,2,7,14H2,1H3
InChIKeyBWTYWEZQPKIGJY-UHFFFAOYSA-N
XLogP3.03
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(3-fluorophenyl)ethanamine?
The IUPAC name of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(3-fluorophenyl)ethanamine (CID 107525442) is 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(3-fluorophenyl)ethanamine.
What is the SMILES notation for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(3-fluorophenyl)ethanamine?
The canonical SMILES for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(3-fluorophenyl)ethanamine is CCc1nsc(SCC(N)c2cccc(F)c2)n1.
What is the InChIKey of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(3-fluorophenyl)ethanamine?
The InChIKey is BWTYWEZQPKIGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3S2/c1-2-11-15-12(18-16-11)17-7-10(14)8-4-3-5-9(13)6-8/h3-6,10H,2,7,14H2,1H3.
What are the key properties of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(3-fluorophenyl)ethanamine?
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(3-fluorophenyl)ethanamine has a molecular weight of 283.40 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 107525442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).