N-cyclopent-3-en-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C8H8F3N3S — CID 114448746

IUPACN-cyclopent-3-en-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1nnc(NC2CC=CC2)s1
InChIInChI=1S/C8H8F3N3S/c9-8(10,11)6-13-14-7(15-6)12-5-3-1-2-4-5/h1-2,5H,3-4H2,(H,12,14)
InChIKeyXECGHWDYIYOSIE-UHFFFAOYSA-N
MW235.23 g/mol
LogP2.69
Rot. Bonds2

About N-cyclopent-3-en-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

N-cyclopent-3-en-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114448746) has the molecular formula C8H8F3N3S and a molecular weight of 235.23 g/mol. Its IUPAC name is N-cyclopent-3-en-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-cyclopent-3-en-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID114448746
Molecular FormulaC8H8F3N3S
Molecular Weight235.23 g/mol
Exact Mass235.04
IUPAC NameN-cyclopent-3-en-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1nnc(NC2CC=CC2)s1
InChIInChI=1S/C8H8F3N3S/c9-8(10,11)6-13-14-7(15-6)12-5-3-1-2-4-5/h1-2,5H,3-4H2,(H,12,14)
InChIKeyXECGHWDYIYOSIE-UHFFFAOYSA-N
XLogP2.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopent-3-en-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-cyclopent-3-en-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 114448746) is N-cyclopent-3-en-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-cyclopent-3-en-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-cyclopent-3-en-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is FC(F)(F)c1nnc(NC2CC=CC2)s1.
What is the InChIKey of N-cyclopent-3-en-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is XECGHWDYIYOSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3S/c9-8(10,11)6-13-14-7(15-6)12-5-3-1-2-4-5/h1-2,5H,3-4H2,(H,12,14).
What are the key properties of N-cyclopent-3-en-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-cyclopent-3-en-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 235.23 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopent-3-en-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114448746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).