2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propan-1-amine

C8H12F3N3OS — CID 62580822

IUPAC2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCc1nnc(SC(C)CNCC(F)(F)F)o1
InChIInChI=1S/C8H12F3N3OS/c1-5(3-12-4-8(9,10)11)16-7-14-13-6(2)15-7/h5,12H,3-4H2,1-2H3
InChIKeyGGCUBDKKRXCGQQ-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.01
Rot. Bonds5

About 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propan-1-amine

2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 62580822) has the molecular formula C8H12F3N3OS and a molecular weight of 255.26 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID62580822
Molecular FormulaC8H12F3N3OS
Molecular Weight255.26 g/mol
Exact Mass255.07
IUPAC Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCc1nnc(SC(C)CNCC(F)(F)F)o1
InChIInChI=1S/C8H12F3N3OS/c1-5(3-12-4-8(9,10)11)16-7-14-13-6(2)15-7/h5,12H,3-4H2,1-2H3
InChIKeyGGCUBDKKRXCGQQ-UHFFFAOYSA-N
XLogP2.01
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.01
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]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 62580822) is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propan-1-amine is Cc1nnc(SC(C)CNCC(F)(F)F)o1.
What is the InChIKey of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is GGCUBDKKRXCGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3OS/c1-5(3-12-4-8(9,10)11)16-7-14-13-6(2)15-7/h5,12H,3-4H2,1-2H3.
What are the key properties of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 255.26 g/mol, XLogP of 2.01, 5 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]-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 62580822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).