5-ethyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine

C11H16F3N3S — CID 107648178

IUPAC5-ethyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC2CCCCC2C(F)(F)F)s1
InChIInChI=1S/C11H16F3N3S/c1-2-9-16-17-10(18-9)15-8-6-4-3-5-7(8)11(12,13)14/h7-8H,2-6H2,1H3,(H,15,17)
InChIKeyQVJKEVARYYPEOI-UHFFFAOYSA-N
MW279.33 g/mol
LogP3.63
Rot. Bonds3

About 5-ethyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine

5-ethyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine (PubChem CID 107648178) has the molecular formula C11H16F3N3S and a molecular weight of 279.33 g/mol. Its IUPAC name is 5-ethyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine
PubChem CID107648178
Molecular FormulaC11H16F3N3S
Molecular Weight279.33 g/mol
Exact Mass279.10
IUPAC Name5-ethyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC2CCCCC2C(F)(F)F)s1
InChIInChI=1S/C11H16F3N3S/c1-2-9-16-17-10(18-9)15-8-6-4-3-5-7(8)11(12,13)14/h7-8H,2-6H2,1H3,(H,15,17)
InChIKeyQVJKEVARYYPEOI-UHFFFAOYSA-N
XLogP3.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-ethyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine (CID 107648178) is 5-ethyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-ethyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine is CCc1nnc(NC2CCCCC2C(F)(F)F)s1.
What is the InChIKey of 5-ethyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is QVJKEVARYYPEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3S/c1-2-9-16-17-10(18-9)15-8-6-4-3-5-7(8)11(12,13)14/h7-8H,2-6H2,1H3,(H,15,17).
What are the key properties of 5-ethyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine?
5-ethyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 279.33 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107648178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).