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

C9H13F2N3OS — CID 103151221

IUPACN-cyclopropyl-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
SMILESFC(F)COCCc1nsc(NC2CC2)n1
InChIInChI=1S/C9H13F2N3OS/c10-7(11)5-15-4-3-8-13-9(16-14-8)12-6-1-2-6/h6-7H,1-5H2,(H,12,13,14)
InChIKeyHVRMVGJUBAEVMX-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.94
Rot. Bonds7

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

N-cyclopropyl-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 103151221) has the molecular formula C9H13F2N3OS and a molecular weight of 249.29 g/mol. Its IUPAC name is N-cyclopropyl-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
PubChem CID103151221
Molecular FormulaC9H13F2N3OS
Molecular Weight249.29 g/mol
Exact Mass249.07
IUPAC NameN-cyclopropyl-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
SMILESFC(F)COCCc1nsc(NC2CC2)n1
InChIInChI=1S/C9H13F2N3OS/c10-7(11)5-15-4-3-8-13-9(16-14-8)12-6-1-2-6/h6-7H,1-5H2,(H,12,13,14)
InChIKeyHVRMVGJUBAEVMX-UHFFFAOYSA-N
XLogP1.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-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 N-cyclopropyl-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-cyclopropyl-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine (CID 103151221) is N-cyclopropyl-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-cyclopropyl-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-cyclopropyl-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine is FC(F)COCCc1nsc(NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is HVRMVGJUBAEVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3OS/c10-7(11)5-15-4-3-8-13-9(16-14-8)12-6-1-2-6/h6-7H,1-5H2,(H,12,13,14).
What are the key properties of N-cyclopropyl-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine?
N-cyclopropyl-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 249.29 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 103151221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).