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

C10H8F3N3OS — CID 106921480

IUPAC4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridin-3-amine
SMILESCc1coc(Sc2cc(C(F)(F)F)ncc2N)n1
InChIInChI=1S/C10H8F3N3OS/c1-5-4-17-9(16-5)18-7-2-8(10(11,12)13)15-3-6(7)14/h2-4H,14H2,1H3
InChIKeyFSRLZBTWYAZDKW-UHFFFAOYSA-N
MW275.25 g/mol
LogP3.13
Rot. Bonds2

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

4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridin-3-amine (PubChem CID 106921480) has the molecular formula C10H8F3N3OS and a molecular weight of 275.25 g/mol. Its IUPAC name is 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridin-3-amine
PubChem CID106921480
Molecular FormulaC10H8F3N3OS
Molecular Weight275.25 g/mol
Exact Mass275.03
IUPAC Name4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridin-3-amine
SMILESCc1coc(Sc2cc(C(F)(F)F)ncc2N)n1
InChIInChI=1S/C10H8F3N3OS/c1-5-4-17-9(16-5)18-7-2-8(10(11,12)13)15-3-6(7)14/h2-4H,14H2,1H3
InChIKeyFSRLZBTWYAZDKW-UHFFFAOYSA-N
XLogP3.13
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridin-3-amine (CID 106921480) is 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridin-3-amine is Cc1coc(Sc2cc(C(F)(F)F)ncc2N)n1.
What is the InChIKey of 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridin-3-amine?
The InChIKey is FSRLZBTWYAZDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3OS/c1-5-4-17-9(16-5)18-7-2-8(10(11,12)13)15-3-6(7)14/h2-4H,14H2,1H3.
What are the key properties of 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridin-3-amine?
4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridin-3-amine has a molecular weight of 275.25 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 106921480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).