6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-4-(trifluoromethyl)pyridin-2-amine

C10H9F3N4S2 — CID 102720407

IUPAC6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCCc1nsc(Sc2cc(C(F)(F)F)cc(N)n2)n1
InChIInChI=1S/C10H9F3N4S2/c1-2-7-16-9(19-17-7)18-8-4-5(10(11,12)13)3-6(14)15-8/h3-4H,2H2,1H3,(H2,14,15)
InChIKeyFXMNNIIQXLJQFB-UHFFFAOYSA-N
MW306.34 g/mol
LogP3.25
Rot. Bonds3

About 6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-4-(trifluoromethyl)pyridin-2-amine

6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102720407) has the molecular formula C10H9F3N4S2 and a molecular weight of 306.34 g/mol. Its IUPAC name is 6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102720407
Molecular FormulaC10H9F3N4S2
Molecular Weight306.34 g/mol
Exact Mass306.02
IUPAC Name6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCCc1nsc(Sc2cc(C(F)(F)F)cc(N)n2)n1
InChIInChI=1S/C10H9F3N4S2/c1-2-7-16-9(19-17-7)18-8-4-5(10(11,12)13)3-6(14)15-8/h3-4H,2H2,1H3,(H2,14,15)
InChIKeyFXMNNIIQXLJQFB-UHFFFAOYSA-N
XLogP3.25
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-tert-butyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
CID 80963962
6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrazin-2-amine
CID 80647034
4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566901
5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrazin-2-amine
CID 80663619
6-(4-methoxyphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720140
6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720410
[2-tert-butyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-yl]hydrazine
CID 80980190
6-(2-methoxyphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720288
2-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-4-carboxylic acid
CID 113380415
3-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methylaniline
CID 112648832
6-(2,4-dimethylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720134
[6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80980095

Frequently Asked Questions

What is the IUPAC name of 6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-4-(trifluoromethyl)pyridin-2-amine (CID 102720407) is 6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-4-(trifluoromethyl)pyridin-2-amine is CCc1nsc(Sc2cc(C(F)(F)F)cc(N)n2)n1.
What is the InChIKey of 6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is FXMNNIIQXLJQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4S2/c1-2-7-16-9(19-17-7)18-8-4-5(10(11,12)13)3-6(14)15-8/h3-4H,2H2,1H3,(H2,14,15).
What are the key properties of 6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-4-(trifluoromethyl)pyridin-2-amine?
6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 306.34 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102720407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).