N-(3-methylbut-2-enyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C8H10F3N3S — CID 103525278

IUPACN-(3-methylbut-2-enyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)=CCNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C8H10F3N3S/c1-5(2)3-4-12-7-14-13-6(15-7)8(9,10)11/h3H,4H2,1-2H3,(H,12,14)
InChIKeyIEWOAKUOLAZFRN-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.93
Rot. Bonds3

About N-(3-methylbut-2-enyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

N-(3-methylbut-2-enyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 103525278) has the molecular formula C8H10F3N3S and a molecular weight of 237.25 g/mol. Its IUPAC name is N-(3-methylbut-2-enyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(3-methylbut-2-enyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID103525278
Molecular FormulaC8H10F3N3S
Molecular Weight237.25 g/mol
Exact Mass237.05
IUPAC NameN-(3-methylbut-2-enyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)=CCNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C8H10F3N3S/c1-5(2)3-4-12-7-14-13-6(15-7)8(9,10)11/h3H,4H2,1-2H3,(H,12,14)
InChIKeyIEWOAKUOLAZFRN-UHFFFAOYSA-N
XLogP2.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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

5-methyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
CID 407391
N-(2-prop-2-enylsulfanylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104924085
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 113965353
N-[(E)-pent-3-enyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448565
N-but-3-en-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448729
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
N-pent-4-en-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114449764
(E)-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]but-2-ene-1,4-diamine
CID 114449996
N-(2-methylprop-2-enyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114617573
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114694603
N-but-3-en-2-yl-5-(difluoromethyl)-1,3,4-thiadiazol-2-amine
CID 130163461

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-2-enyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(3-methylbut-2-enyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 103525278) is N-(3-methylbut-2-enyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(3-methylbut-2-enyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(3-methylbut-2-enyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CC(C)=CCNc1nnc(C(F)(F)F)s1.
What is the InChIKey of N-(3-methylbut-2-enyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is IEWOAKUOLAZFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3S/c1-5(2)3-4-12-7-14-13-6(15-7)8(9,10)11/h3H,4H2,1-2H3,(H,12,14).
What are the key properties of N-(3-methylbut-2-enyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-(3-methylbut-2-enyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 237.25 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-2-enyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 103525278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).