3-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine

C8H10F3N3S2 — CID 103894460

IUPAC3-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)SCCNc1nc(C2CC2)ns1
InChIInChI=1S/C8H10F3N3S2/c9-8(10,11)15-4-3-12-7-13-6(14-16-7)5-1-2-5/h5H,1-4H2,(H,12,13,14)
InChIKeyIPMDGCRZEQCCHX-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.08
Rot. Bonds5

About 3-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine

3-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 103894460) has the molecular formula C8H10F3N3S2 and a molecular weight of 269.32 g/mol. Its IUPAC name is 3-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine
PubChem CID103894460
Molecular FormulaC8H10F3N3S2
Molecular Weight269.32 g/mol
Exact Mass269.03
IUPAC Name3-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)SCCNc1nc(C2CC2)ns1
InChIInChI=1S/C8H10F3N3S2/c9-8(10,11)15-4-3-12-7-13-6(14-16-7)5-1-2-5/h5H,1-4H2,(H,12,13,14)
InChIKeyIPMDGCRZEQCCHX-UHFFFAOYSA-N
XLogP3.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine (CID 103894460) is 3-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine is FC(F)(F)SCCNc1nc(C2CC2)ns1.
What is the InChIKey of 3-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is IPMDGCRZEQCCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3S2/c9-8(10,11)15-4-3-12-7-13-6(14-16-7)5-1-2-5/h5H,1-4H2,(H,12,13,14).
What are the key properties of 3-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 269.32 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 103894460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).