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

C9H6F3N3OS — CID 106921320

IUPAC4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridin-3-amine
SMILESNc1cnc(C(F)(F)F)cc1Sc1ncco1
InChIInChI=1S/C9H6F3N3OS/c10-9(11,12)7-3-6(5(13)4-15-7)17-8-14-1-2-16-8/h1-4H,13H2
InChIKeyWPYNQAGKRACIIM-UHFFFAOYSA-N
MW261.23 g/mol
LogP2.82
Rot. Bonds2

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

4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridin-3-amine (PubChem CID 106921320) has the molecular formula C9H6F3N3OS and a molecular weight of 261.23 g/mol. Its IUPAC name is 4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridin-3-amine
PubChem CID106921320
Molecular FormulaC9H6F3N3OS
Molecular Weight261.23 g/mol
Exact Mass261.02
IUPAC Name4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridin-3-amine
SMILESNc1cnc(C(F)(F)F)cc1Sc1ncco1
InChIInChI=1S/C9H6F3N3OS/c10-9(11,12)7-3-6(5(13)4-15-7)17-8-14-1-2-16-8/h1-4H,13H2
InChIKeyWPYNQAGKRACIIM-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 4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridin-3-amine (CID 106921320) is 4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridin-3-amine is Nc1cnc(C(F)(F)F)cc1Sc1ncco1.
What is the InChIKey of 4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridin-3-amine?
The InChIKey is WPYNQAGKRACIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3OS/c10-9(11,12)7-3-6(5(13)4-15-7)17-8-14-1-2-16-8/h1-4H,13H2.
What are the key properties of 4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridin-3-amine?
4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridin-3-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 4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 106921320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).