3-[1-(3-fluorophenyl)sulfanylethyl]-1,2,4-thiadiazol-5-amine

C10H10FN3S2 — CID 21081444

IUPAC3-[1-(3-fluorophenyl)sulfanylethyl]-1,2,4-thiadiazol-5-amine
SMILESCC(Sc1cccc(F)c1)c1nsc(N)n1
InChIInChI=1S/C10H10FN3S2/c1-6(9-13-10(12)16-14-9)15-8-4-2-3-7(11)5-8/h2-6H,1H3,(H2,12,13,14)
InChIKeyKFAQIPLHBGFUER-UHFFFAOYSA-N
MW255.34 g/mol
LogP3.11
Rot. Bonds3

About 3-[1-(3-fluorophenyl)sulfanylethyl]-1,2,4-thiadiazol-5-amine

3-[1-(3-fluorophenyl)sulfanylethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 21081444) has the molecular formula C10H10FN3S2 and a molecular weight of 255.34 g/mol. Its IUPAC name is 3-[1-(3-fluorophenyl)sulfanylethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[1-(3-fluorophenyl)sulfanylethyl]-1,2,4-thiadiazol-5-amine
PubChem CID21081444
Molecular FormulaC10H10FN3S2
Molecular Weight255.34 g/mol
Exact Mass255.03
IUPAC Name3-[1-(3-fluorophenyl)sulfanylethyl]-1,2,4-thiadiazol-5-amine
SMILESCC(Sc1cccc(F)c1)c1nsc(N)n1
InChIInChI=1S/C10H10FN3S2/c1-6(9-13-10(12)16-14-9)15-8-4-2-3-7(11)5-8/h2-6H,1H3,(H2,12,13,14)
InChIKeyKFAQIPLHBGFUER-UHFFFAOYSA-N
XLogP3.11
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-fluorophenyl)sulfanylethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[1-(3-fluorophenyl)sulfanylethyl]-1,2,4-thiadiazol-5-amine (CID 21081444) is 3-[1-(3-fluorophenyl)sulfanylethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[1-(3-fluorophenyl)sulfanylethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[1-(3-fluorophenyl)sulfanylethyl]-1,2,4-thiadiazol-5-amine is CC(Sc1cccc(F)c1)c1nsc(N)n1.
What is the InChIKey of 3-[1-(3-fluorophenyl)sulfanylethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is KFAQIPLHBGFUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3S2/c1-6(9-13-10(12)16-14-9)15-8-4-2-3-7(11)5-8/h2-6H,1H3,(H2,12,13,14).
What are the key properties of 3-[1-(3-fluorophenyl)sulfanylethyl]-1,2,4-thiadiazol-5-amine?
3-[1-(3-fluorophenyl)sulfanylethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 255.34 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-fluorophenyl)sulfanylethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 21081444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).