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

C11H16F3N3OS — CID 133370070

IUPAC3-(methoxymethyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine
SMILESCOCc1nsc(NC2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C11H16F3N3OS/c1-18-6-9-16-10(19-17-9)15-8-4-2-3-7(5-8)11(12,13)14/h7-8H,2-6H2,1H3,(H,15,16,17)
InChIKeyNGDZOKFJZIHWJH-UHFFFAOYSA-N
MW295.33 g/mol
LogP3.22
Rot. Bonds4

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

3-(methoxymethyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine (PubChem CID 133370070) has the molecular formula C11H16F3N3OS and a molecular weight of 295.33 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(methoxymethyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine
PubChem CID133370070
Molecular FormulaC11H16F3N3OS
Molecular Weight295.33 g/mol
Exact Mass295.10
IUPAC Name3-(methoxymethyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine
SMILESCOCc1nsc(NC2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C11H16F3N3OS/c1-18-6-9-16-10(19-17-9)15-8-4-2-3-7(5-8)11(12,13)14/h7-8H,2-6H2,1H3,(H,15,16,17)
InChIKeyNGDZOKFJZIHWJH-UHFFFAOYSA-N
XLogP3.22
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(methoxymethyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine (CID 133370070) is 3-(methoxymethyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(methoxymethyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(methoxymethyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine is COCc1nsc(NC2CCCC(C(F)(F)F)C2)n1.
What is the InChIKey of 3-(methoxymethyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is NGDZOKFJZIHWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3OS/c1-18-6-9-16-10(19-17-9)15-8-4-2-3-7(5-8)11(12,13)14/h7-8H,2-6H2,1H3,(H,15,16,17).
What are the key properties of 3-(methoxymethyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine?
3-(methoxymethyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 295.33 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133370070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).