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

C13H13F3N4OS — CID 133398760

IUPAC5-cyclopropyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1cccnc1OCCNc1nnc(C2CC2)s1
InChIInChI=1S/C13H13F3N4OS/c14-13(15,16)9-2-1-5-17-10(9)21-7-6-18-12-20-19-11(22-12)8-3-4-8/h1-2,5,8H,3-4,6-7H2,(H,18,20)
InChIKeyXRCZCTXJTHJBBZ-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.32
Rot. Bonds6

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

5-cyclopropyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 133398760) has the molecular formula C13H13F3N4OS and a molecular weight of 330.34 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID133398760
Molecular FormulaC13H13F3N4OS
Molecular Weight330.34 g/mol
Exact Mass330.08
IUPAC Name5-cyclopropyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1cccnc1OCCNc1nnc(C2CC2)s1
InChIInChI=1S/C13H13F3N4OS/c14-13(15,16)9-2-1-5-17-10(9)21-7-6-18-12-20-19-11(22-12)8-3-4-8/h1-2,5,8H,3-4,6-7H2,(H,18,20)
InChIKeyXRCZCTXJTHJBBZ-UHFFFAOYSA-N
XLogP3.32
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-cyclopropyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3,4-thiadiazol-2-amine (CID 133398760) is 5-cyclopropyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3,4-thiadiazol-2-amine is FC(F)(F)c1cccnc1OCCNc1nnc(C2CC2)s1.
What is the InChIKey of 5-cyclopropyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is XRCZCTXJTHJBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4OS/c14-13(15,16)9-2-1-5-17-10(9)21-7-6-18-12-20-19-11(22-12)8-3-4-8/h1-2,5,8H,3-4,6-7H2,(H,18,20).
What are the key properties of 5-cyclopropyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3,4-thiadiazol-2-amine?
5-cyclopropyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 330.34 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133398760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).