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

C6H7F4N3S — CID 106294311

IUPAC3-methyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCC(F)(F)C(F)F)n1
InChIInChI=1S/C6H7F4N3S/c1-3-12-5(14-13-3)11-2-6(9,10)4(7)8/h4H,2H2,1H3,(H,11,12,13)
InChIKeyMZXCWLHYOWZZRS-UHFFFAOYSA-N
MW229.20 g/mol
LogP2.16
Rot. Bonds4

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

3-methyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 106294311) has the molecular formula C6H7F4N3S and a molecular weight of 229.20 g/mol. Its IUPAC name is 3-methyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine
PubChem CID106294311
Molecular FormulaC6H7F4N3S
Molecular Weight229.20 g/mol
Exact Mass229.03
IUPAC Name3-methyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCC(F)(F)C(F)F)n1
InChIInChI=1S/C6H7F4N3S/c1-3-12-5(14-13-3)11-2-6(9,10)4(7)8/h4H,2H2,1H3,(H,11,12,13)
InChIKeyMZXCWLHYOWZZRS-UHFFFAOYSA-N
XLogP2.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methyl-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

N,N,2,2-tetramethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65268031
N-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 103081419
3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65272894
N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 65267731
N-(2-chloroethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65273353
N-(2,2-dimethoxyethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 107390179
6-hydrazinyl-2,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine
CID 106294474
2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
CID 130855459
3-methyl-2-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]butanoic acid
CID 65267662
3,3-dimethyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol
CID 130703976
3-methyl-N-(2-methyl-3-methylsulfanylpropyl)-1,2,4-thiadiazol-5-amine
CID 65273013
N-[(1-aminocyclobutyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 103353974

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine (CID 106294311) is 3-methyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine is Cc1nsc(NCC(F)(F)C(F)F)n1.
What is the InChIKey of 3-methyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is MZXCWLHYOWZZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F4N3S/c1-3-12-5(14-13-3)11-2-6(9,10)4(7)8/h4H,2H2,1H3,(H,11,12,13).
What are the key properties of 3-methyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine?
3-methyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 229.20 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 106294311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).