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

C8H11F4N3S — CID 106293757

IUPAC3-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NCC(F)(F)C(F)F)n1
InChIInChI=1S/C8H11F4N3S/c1-4(2)5-14-7(16-15-5)13-3-8(11,12)6(9)10/h4,6H,3H2,1-2H3,(H,13,14,15)
InChIKeyKFAAYFYLLXWKEW-UHFFFAOYSA-N
MW257.26 g/mol
LogP2.97
Rot. Bonds5

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

3-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 106293757) has the molecular formula C8H11F4N3S and a molecular weight of 257.26 g/mol. Its IUPAC name is 3-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine
PubChem CID106293757
Molecular FormulaC8H11F4N3S
Molecular Weight257.26 g/mol
Exact Mass257.06
IUPAC Name3-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NCC(F)(F)C(F)F)n1
InChIInChI=1S/C8H11F4N3S/c1-4(2)5-14-7(16-15-5)13-3-8(11,12)6(9)10/h4,6H,3H2,1-2H3,(H,13,14,15)
InChIKeyKFAAYFYLLXWKEW-UHFFFAOYSA-N
XLogP2.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-propan-2-yl-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-ethyl-N-methyl-1,2,4-thiadiazol-5-amine
CID 55287031
N-propan-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304640
N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304649
3-methyl-N-propyl-1,2,4-thiadiazol-5-amine
CID 65269099
N-(2-methylpropyl)-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65267701
3-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65268223
3-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65268372
N-ethyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65268635
N-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65268712
N-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65268842
N-propyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65269158
N-cyclopropyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65269174

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine (CID 106293757) is 3-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine is CC(C)c1nsc(NCC(F)(F)C(F)F)n1.
What is the InChIKey of 3-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is KFAAYFYLLXWKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F4N3S/c1-4(2)5-14-7(16-15-5)13-3-8(11,12)6(9)10/h4,6H,3H2,1-2H3,(H,13,14,15).
What are the key properties of 3-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine?
3-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 257.26 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 106293757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).