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

C7H8F3N3S — CID 114617573

IUPACN-(2-methylprop-2-enyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESC=C(C)CNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C7H8F3N3S/c1-4(2)3-11-6-13-12-5(14-6)7(8,9)10/h1,3H2,2H3,(H,11,13)
InChIKeyVGIRZHATVCCOEM-UHFFFAOYSA-N
MW223.22 g/mol
LogP2.54
Rot. Bonds3

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

N-(2-methylprop-2-enyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114617573) has the molecular formula C7H8F3N3S and a molecular weight of 223.22 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID114617573
Molecular FormulaC7H8F3N3S
Molecular Weight223.22 g/mol
Exact Mass223.04
IUPAC NameN-(2-methylprop-2-enyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESC=C(C)CNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C7H8F3N3S/c1-4(2)3-11-6-13-12-5(14-6)7(8,9)10/h1,3H2,2H3,(H,11,13)
InChIKeyVGIRZHATVCCOEM-UHFFFAOYSA-N
XLogP2.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 52.54
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-(2-methylprop-2-enyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2-methylprop-2-enyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 114617573) is N-(2-methylprop-2-enyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2-methylprop-2-enyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2-methylprop-2-enyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is C=C(C)CNc1nnc(C(F)(F)F)s1.
What is the InChIKey of N-(2-methylprop-2-enyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is VGIRZHATVCCOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3S/c1-4(2)3-11-6-13-12-5(14-6)7(8,9)10/h1,3H2,2H3,(H,11,13).
What are the key properties of N-(2-methylprop-2-enyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-(2-methylprop-2-enyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 223.22 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114617573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).