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

C10H8F3N3OS — CID 106928335

IUPACN-methyl-6-(1,3-oxazol-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCNc1cc(C(F)(F)F)cc(Sc2ncco2)n1
InChIInChI=1S/C10H8F3N3OS/c1-14-7-4-6(10(11,12)13)5-8(16-7)18-9-15-2-3-17-9/h2-5H,1H3,(H,14,16)
InChIKeyWIQNRGPYKVHORQ-UHFFFAOYSA-N
MW275.25 g/mol
LogP3.28
Rot. Bonds3

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

N-methyl-6-(1,3-oxazol-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 106928335) has the molecular formula C10H8F3N3OS and a molecular weight of 275.25 g/mol. Its IUPAC name is N-methyl-6-(1,3-oxazol-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-6-(1,3-oxazol-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID106928335
Molecular FormulaC10H8F3N3OS
Molecular Weight275.25 g/mol
Exact Mass275.03
IUPAC NameN-methyl-6-(1,3-oxazol-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCNc1cc(C(F)(F)F)cc(Sc2ncco2)n1
InChIInChI=1S/C10H8F3N3OS/c1-14-7-4-6(10(11,12)13)5-8(16-7)18-9-15-2-3-17-9/h2-5H,1H3,(H,14,16)
InChIKeyWIQNRGPYKVHORQ-UHFFFAOYSA-N
XLogP3.28
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(1,3-oxazol-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-methyl-6-(1,3-oxazol-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine (CID 106928335) is N-methyl-6-(1,3-oxazol-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-6-(1,3-oxazol-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-6-(1,3-oxazol-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine is CNc1cc(C(F)(F)F)cc(Sc2ncco2)n1.
What is the InChIKey of N-methyl-6-(1,3-oxazol-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is WIQNRGPYKVHORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3OS/c1-14-7-4-6(10(11,12)13)5-8(16-7)18-9-15-2-3-17-9/h2-5H,1H3,(H,14,16).
What are the key properties of N-methyl-6-(1,3-oxazol-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine?
N-methyl-6-(1,3-oxazol-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 275.25 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(1,3-oxazol-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106928335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).