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

C11H10F3N3OS — CID 106928748

IUPAC6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCc1nc(Sc2cc(C(F)(F)F)cc(N)n2)oc1C
InChIInChI=1S/C11H10F3N3OS/c1-5-6(2)18-10(16-5)19-9-4-7(11(12,13)14)3-8(15)17-9/h3-4H,1-2H3,(H2,15,17)
InChIKeyWBXSIIARJNAQLK-UHFFFAOYSA-N
MW289.28 g/mol
LogP3.44
Rot. Bonds2

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

6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 106928748) has the molecular formula C11H10F3N3OS and a molecular weight of 289.28 g/mol. Its IUPAC name is 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID106928748
Molecular FormulaC11H10F3N3OS
Molecular Weight289.28 g/mol
Exact Mass289.05
IUPAC Name6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCc1nc(Sc2cc(C(F)(F)F)cc(N)n2)oc1C
InChIInChI=1S/C11H10F3N3OS/c1-5-6(2)18-10(16-5)19-9-4-7(11(12,13)14)3-8(15)17-9/h3-4H,1-2H3,(H2,15,17)
InChIKeyWBXSIIARJNAQLK-UHFFFAOYSA-N
XLogP3.44
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-(trifluoromethyl)pyridin-2-amine (CID 106928748) is 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-(trifluoromethyl)pyridin-2-amine is Cc1nc(Sc2cc(C(F)(F)F)cc(N)n2)oc1C.
What is the InChIKey of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is WBXSIIARJNAQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3OS/c1-5-6(2)18-10(16-5)19-9-4-7(11(12,13)14)3-8(15)17-9/h3-4H,1-2H3,(H2,15,17).
What are the key properties of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-(trifluoromethyl)pyridin-2-amine?
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 289.28 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106928748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).