4,4,4-trifluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine

C7H10F3N3OS — CID 62254706

IUPAC4,4,4-trifluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine
SMILESCc1nnc(SC(C(C)N)C(F)(F)F)o1
InChIInChI=1S/C7H10F3N3OS/c1-3(11)5(7(8,9)10)15-6-13-12-4(2)14-6/h3,5H,11H2,1-2H3
InChIKeyTYRYCCKMZXRUDW-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.75
Rot. Bonds3

About 4,4,4-trifluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine

4,4,4-trifluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine (PubChem CID 62254706) has the molecular formula C7H10F3N3OS and a molecular weight of 241.24 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine
PubChem CID62254706
Molecular FormulaC7H10F3N3OS
Molecular Weight241.24 g/mol
Exact Mass241.05
IUPAC Name4,4,4-trifluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine
SMILESCc1nnc(SC(C(C)N)C(F)(F)F)o1
InChIInChI=1S/C7H10F3N3OS/c1-3(11)5(7(8,9)10)15-6-13-12-4(2)14-6/h3,5H,11H2,1-2H3
InChIKeyTYRYCCKMZXRUDW-UHFFFAOYSA-N
XLogP1.75
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,4,4-Trifluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-1-amine
CID 62253286
1,1,1-Trifluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentan-3-amine
CID 62254705
3,3,3-Trifluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine
CID 62254880
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62580822
2,2,2-trifluoro-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine
CID 62581347
[5-(4,4,4-Trifluorobutylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102629978
[5-(3,3,3-Trifluoropropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102629982
3,3,3-Trifluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]propan-1-amine
CID 103371671
2-[(5-Methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine
CID 39235557
3-[(5-Methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine
CID 39236448
2-[(5-Ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine
CID 39236451
3-[(5-Ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine
CID 39237966

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine?
The IUPAC name of 4,4,4-trifluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine (CID 62254706) is 4,4,4-trifluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine is Cc1nnc(SC(C(C)N)C(F)(F)F)o1.
What is the InChIKey of 4,4,4-trifluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine?
The InChIKey is TYRYCCKMZXRUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3OS/c1-3(11)5(7(8,9)10)15-6-13-12-4(2)14-6/h3,5H,11H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine?
4,4,4-trifluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine has a molecular weight of 241.24 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine is sourced from PubChem (CID 62254706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).