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

C8H9F4N3S — CID 106293663

IUPAC3-cyclopropyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)C(F)(F)CNc1nc(C2CC2)ns1
InChIInChI=1S/C8H9F4N3S/c9-6(10)8(11,12)3-13-7-14-5(15-16-7)4-1-2-4/h4,6H,1-3H2,(H,13,14,15)
InChIKeyRVIWTLVWMMLMMF-UHFFFAOYSA-N
MW255.24 g/mol
LogP2.73
Rot. Bonds5

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

3-cyclopropyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 106293663) has the molecular formula C8H9F4N3S and a molecular weight of 255.24 g/mol. Its IUPAC name is 3-cyclopropyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine
PubChem CID106293663
Molecular FormulaC8H9F4N3S
Molecular Weight255.24 g/mol
Exact Mass255.05
IUPAC Name3-cyclopropyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)C(F)(F)CNc1nc(C2CC2)ns1
InChIInChI=1S/C8H9F4N3S/c9-6(10)8(11,12)3-13-7-14-5(15-16-7)4-1-2-4/h4,6H,1-3H2,(H,13,14,15)
InChIKeyRVIWTLVWMMLMMF-UHFFFAOYSA-N
XLogP2.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
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-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
3-tert-butyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65271023
3-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65271025
3-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65271026
3-propyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65271079
3-ethyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65271080
3-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65271109

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine (CID 106293663) is 3-cyclopropyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine is FC(F)C(F)(F)CNc1nc(C2CC2)ns1.
What is the InChIKey of 3-cyclopropyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is RVIWTLVWMMLMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F4N3S/c9-6(10)8(11,12)3-13-7-14-5(15-16-7)4-1-2-4/h4,6H,1-3H2,(H,13,14,15).
What are the key properties of 3-cyclopropyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 255.24 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 106293663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).