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

C8H10F3N3S — CID 114449764

IUPACN-pent-4-en-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESC=CCC(C)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C8H10F3N3S/c1-3-4-5(2)12-7-14-13-6(15-7)8(9,10)11/h3,5H,1,4H2,2H3,(H,12,14)
InChIKeyGWVWILKHZXUJTC-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.93
Rot. Bonds4

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

N-pent-4-en-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114449764) has the molecular formula C8H10F3N3S and a molecular weight of 237.25 g/mol. Its IUPAC name is N-pent-4-en-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-pent-4-en-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID114449764
Molecular FormulaC8H10F3N3S
Molecular Weight237.25 g/mol
Exact Mass237.05
IUPAC NameN-pent-4-en-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESC=CCC(C)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C8H10F3N3S/c1-3-4-5(2)12-7-14-13-6(15-7)8(9,10)11/h3,5H,1,4H2,2H3,(H,12,14)
InChIKeyGWVWILKHZXUJTC-UHFFFAOYSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylbut-2-enyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 103525278
N-(2-prop-2-enylsulfanylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104924085
N-butan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448013
N-pentan-3-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448054
N-pentan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448182
N-[(E)-pent-3-enyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448565
N-cyclohex-3-en-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448591
N-but-3-en-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448729
N-cyclopent-3-en-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448746
N-prop-2-enyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114449677
N-but-3-enyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114449762
(E)-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]but-2-ene-1,4-diamine
CID 114449996

Frequently Asked Questions

What is the IUPAC name of N-pent-4-en-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-pent-4-en-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 114449764) is N-pent-4-en-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-pent-4-en-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-pent-4-en-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is C=CCC(C)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of N-pent-4-en-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is GWVWILKHZXUJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3S/c1-3-4-5(2)12-7-14-13-6(15-7)8(9,10)11/h3,5H,1,4H2,2H3,(H,12,14).
What are the key properties of N-pent-4-en-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-pent-4-en-2-yl-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-pent-4-en-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114449764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).