N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine

C5H5F4N3S — CID 106294323

IUPACN-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)C(F)(F)CNc1ncns1
InChIInChI=1S/C5H5F4N3S/c6-3(7)5(8,9)1-10-4-11-2-12-13-4/h2-3H,1H2,(H,10,11,12)
InChIKeyPWNPSEYYVMNFKD-UHFFFAOYSA-N
MW215.18 g/mol
LogP1.85
Rot. Bonds4

About N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine

N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 106294323) has the molecular formula C5H5F4N3S and a molecular weight of 215.18 g/mol. Its IUPAC name is N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine
PubChem CID106294323
Molecular FormulaC5H5F4N3S
Molecular Weight215.18 g/mol
Exact Mass215.01
IUPAC NameN-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)C(F)(F)CNc1ncns1
InChIInChI=1S/C5H5F4N3S/c6-3(7)5(8,9)1-10-4-11-2-12-13-4/h2-3H,1H2,(H,10,11,12)
InChIKeyPWNPSEYYVMNFKD-UHFFFAOYSA-N
XLogP1.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2,2,3,3-tetrafluoropropyl)-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

Related Compounds

3-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine;hydrobromide
CID 21298776
3-(2,2,2-Trifluoroethyl)amino-5-amino-1,2,4-thiadiazole
CID 21298777
N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65271024
N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65274380
5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine
CID 66278327
5-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole-3,5-diamine
CID 66280544
N-(4,4,4-trifluorobutan-2-yl)-1,2,4-thiadiazol-5-amine
CID 104854570
N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine
CID 106214891
5-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazole-3,5-diamine
CID 106296012
2,2-difluoro-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 114384378
N-(2,2-difluoroethyl)-1,2,4-thiadiazol-5-amine
CID 115407615
5-N-(2,2-difluoroethyl)-1,2,4-thiadiazole-3,5-diamine
CID 115409380

Frequently Asked Questions

What is the IUPAC name of N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine (CID 106294323) is N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine is FC(F)C(F)(F)CNc1ncns1.
What is the InChIKey of N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is PWNPSEYYVMNFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F4N3S/c6-3(7)5(8,9)1-10-4-11-2-12-13-4/h2-3H,1H2,(H,10,11,12).
What are the key properties of N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine?
N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 215.18 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 106294323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).