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

C9H10F3N3S — CID 114448591

IUPACN-cyclohex-3-en-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1nnc(NC2CC=CCC2)s1
InChIInChI=1S/C9H10F3N3S/c10-9(11,12)7-14-15-8(16-7)13-6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H,13,15)
InChIKeyWCEJOHFGNVNHGR-UHFFFAOYSA-N
MW249.26 g/mol
LogP3.08
Rot. Bonds2

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

N-cyclohex-3-en-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114448591) has the molecular formula C9H10F3N3S and a molecular weight of 249.26 g/mol. Its IUPAC name is N-cyclohex-3-en-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-cyclohex-3-en-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID114448591
Molecular FormulaC9H10F3N3S
Molecular Weight249.26 g/mol
Exact Mass249.05
IUPAC NameN-cyclohex-3-en-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1nnc(NC2CC=CCC2)s1
InChIInChI=1S/C9H10F3N3S/c10-9(11,12)7-14-15-8(16-7)13-6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H,13,15)
InChIKeyWCEJOHFGNVNHGR-UHFFFAOYSA-N
XLogP3.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 53.08
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-[2-(cyclopenten-1-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 113586377
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 113965353
N-[2-(cyclohexen-1-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448061
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-cyclopent-3-en-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448746
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
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114694603
N-cyclopent-3-en-1-yl-5-(difluoromethyl)-1,3,4-thiadiazol-2-amine
CID 130163462
1-Cyclohex-3-en-1-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]urea
CID 154840024
N-cyclohex-3-en-1-yl-5-methyl-1,3,4-thiadiazol-2-amine
CID 64982801

Frequently Asked Questions

What is the IUPAC name of N-cyclohex-3-en-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-cyclohex-3-en-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 114448591) is N-cyclohex-3-en-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-cyclohex-3-en-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-cyclohex-3-en-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is FC(F)(F)c1nnc(NC2CC=CCC2)s1.
What is the InChIKey of N-cyclohex-3-en-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is WCEJOHFGNVNHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3S/c10-9(11,12)7-14-15-8(16-7)13-6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H,13,15).
What are the key properties of N-cyclohex-3-en-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-cyclohex-3-en-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 249.26 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-3-en-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114448591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).