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

C12H12F3N3OS — CID 106923778

IUPAC[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCc1nc(Sc2nc(C(F)(F)F)ccc2CN)oc1C
InChIInChI=1S/C12H12F3N3OS/c1-6-7(2)19-11(17-6)20-10-8(5-16)3-4-9(18-10)12(13,14)15/h3-4H,5,16H2,1-2H3
InChIKeyGETWQYVMCYGMAF-UHFFFAOYSA-N
MW303.31 g/mol
LogP3.32
Rot. Bonds3

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

[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 106923778) has the molecular formula C12H12F3N3OS and a molecular weight of 303.31 g/mol. Its IUPAC name is [2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID106923778
Molecular FormulaC12H12F3N3OS
Molecular Weight303.31 g/mol
Exact Mass303.07
IUPAC Name[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCc1nc(Sc2nc(C(F)(F)F)ccc2CN)oc1C
InChIInChI=1S/C12H12F3N3OS/c1-6-7(2)19-11(17-6)20-10-8(5-16)3-4-9(18-10)12(13,14)15/h3-4H,5,16H2,1-2H3
InChIKeyGETWQYVMCYGMAF-UHFFFAOYSA-N
XLogP3.32
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of [2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)-3-pyridinyl]methanamine (CID 106923778) is [2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for [2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)-3-pyridinyl]methanamine is Cc1nc(Sc2nc(C(F)(F)F)ccc2CN)oc1C.
What is the InChIKey of [2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is GETWQYVMCYGMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3OS/c1-6-7(2)19-11(17-6)20-10-8(5-16)3-4-9(18-10)12(13,14)15/h3-4H,5,16H2,1-2H3.
What are the key properties of [2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)-3-pyridinyl]methanamine?
[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 303.31 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 106923778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).