6-(1,3-oxazol-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine

C9H6F3N3OS — CID 106928379

IUPAC6-(1,3-oxazol-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)cc(Sc2ncco2)n1
InChIInChI=1S/C9H6F3N3OS/c10-9(11,12)5-3-6(13)15-7(4-5)17-8-14-1-2-16-8/h1-4H,(H2,13,15)
InChIKeyOFNNUHLPLPYIAP-UHFFFAOYSA-N
MW261.23 g/mol
LogP2.82
Rot. Bonds2

About 6-(1,3-oxazol-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine

6-(1,3-oxazol-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 106928379) has the molecular formula C9H6F3N3OS and a molecular weight of 261.23 g/mol. Its IUPAC name is 6-(1,3-oxazol-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(1,3-oxazol-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID106928379
Molecular FormulaC9H6F3N3OS
Molecular Weight261.23 g/mol
Exact Mass261.02
IUPAC Name6-(1,3-oxazol-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)cc(Sc2ncco2)n1
InChIInChI=1S/C9H6F3N3OS/c10-9(11,12)5-3-6(13)15-7(4-5)17-8-14-1-2-16-8/h1-4H,(H2,13,15)
InChIKeyOFNNUHLPLPYIAP-UHFFFAOYSA-N
XLogP2.82
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-oxazol-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-(1,3-oxazol-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine (CID 106928379) is 6-(1,3-oxazol-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-(1,3-oxazol-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-(1,3-oxazol-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine is Nc1cc(C(F)(F)F)cc(Sc2ncco2)n1.
What is the InChIKey of 6-(1,3-oxazol-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is OFNNUHLPLPYIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3OS/c10-9(11,12)5-3-6(13)15-7(4-5)17-8-14-1-2-16-8/h1-4H,(H2,13,15).
What are the key properties of 6-(1,3-oxazol-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine?
6-(1,3-oxazol-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 261.23 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-oxazol-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106928379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).