[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-(trifluoromethyl)phenyl]methanamine

C11H10F3N3OS — CID 55053447

IUPAC[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-(trifluoromethyl)phenyl]methanamine
SMILESCc1nnc(Sc2ccc(C(F)(F)F)cc2CN)o1
InChIInChI=1S/C11H10F3N3OS/c1-6-16-17-10(18-6)19-9-3-2-8(11(12,13)14)4-7(9)5-15/h2-4H,5,15H2,1H3
InChIKeyBLRHAUMWSHFEBQ-UHFFFAOYSA-N
MW289.28 g/mol
LogP3.01
Rot. Bonds3

About [2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-(trifluoromethyl)phenyl]methanamine

[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-(trifluoromethyl)phenyl]methanamine (PubChem CID 55053447) has the molecular formula C11H10F3N3OS and a molecular weight of 289.28 g/mol. Its IUPAC name is [2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-(trifluoromethyl)phenyl]methanamine
PubChem CID55053447
Molecular FormulaC11H10F3N3OS
Molecular Weight289.28 g/mol
Exact Mass289.05
IUPAC Name[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-(trifluoromethyl)phenyl]methanamine
SMILESCc1nnc(Sc2ccc(C(F)(F)F)cc2CN)o1
InChIInChI=1S/C11H10F3N3OS/c1-6-16-17-10(18-6)19-9-3-2-8(11(12,13)14)4-7(9)5-15/h2-4H,5,15H2,1H3
InChIKeyBLRHAUMWSHFEBQ-UHFFFAOYSA-N
XLogP3.01
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-(trifluoromethyl)phenyl]methanamine (CID 55053447) is [2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-(trifluoromethyl)phenyl]methanamine is Cc1nnc(Sc2ccc(C(F)(F)F)cc2CN)o1.
What is the InChIKey of [2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-(trifluoromethyl)phenyl]methanamine?
The InChIKey is BLRHAUMWSHFEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3OS/c1-6-16-17-10(18-6)19-9-3-2-8(11(12,13)14)4-7(9)5-15/h2-4H,5,15H2,1H3.
What are the key properties of [2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-(trifluoromethyl)phenyl]methanamine?
[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-(trifluoromethyl)phenyl]methanamine has a molecular weight of 289.28 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 55053447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).