N-[(E)-pent-3-enyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C8H10F3N3S — CID 114448565

IUPACN-[(E)-pent-3-enyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESC/C=C/CCNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C8H10F3N3S/c1-2-3-4-5-12-7-14-13-6(15-7)8(9,10)11/h2-3H,4-5H2,1H3,(H,12,14)/b3-2+
InChIKeyWUYICRHNAZQNPH-NSCUHMNNSA-N
MW237.25 g/mol
LogP2.93
Rot. Bonds4

About N-[(E)-pent-3-enyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

N-[(E)-pent-3-enyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114448565) has the molecular formula C8H10F3N3S and a molecular weight of 237.25 g/mol. Its IUPAC name is N-[(E)-pent-3-enyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(E)-pent-3-enyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID114448565
Molecular FormulaC8H10F3N3S
Molecular Weight237.25 g/mol
Exact Mass237.05
IUPAC NameN-[(E)-pent-3-enyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESC/C=C/CCNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C8H10F3N3S/c1-2-3-4-5-12-7-14-13-6(15-7)8(9,10)11/h2-3H,4-5H2,1H3,(H,12,14)/b3-2+
InChIKeyWUYICRHNAZQNPH-NSCUHMNNSA-N
XLogP2.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-pent-3-enyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(E)-pent-3-enyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 114448565) is N-[(E)-pent-3-enyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(E)-pent-3-enyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(E)-pent-3-enyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is C/C=C/CCNc1nnc(C(F)(F)F)s1.
What is the InChIKey of N-[(E)-pent-3-enyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is WUYICRHNAZQNPH-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H10F3N3S/c1-2-3-4-5-12-7-14-13-6(15-7)8(9,10)11/h2-3H,4-5H2,1H3,(H,12,14)/b3-2+.
What are the key properties of N-[(E)-pent-3-enyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[(E)-pent-3-enyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 237.25 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pent-3-enyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114448565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).