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

C10H11F3N4OS — CID 79799036

IUPAC1,1,1-trifluoro-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCc1csc(Cc2noc(C(C)(N)C(F)(F)F)n2)n1
InChIInChI=1S/C10H11F3N4OS/c1-5-4-19-7(15-5)3-6-16-8(18-17-6)9(2,14)10(11,12)13/h4H,3,14H2,1-2H3
InChIKeyAULKPBMQUPIXOD-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.16
Rot. Bonds3

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

1,1,1-trifluoro-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 79799036) has the molecular formula C10H11F3N4OS and a molecular weight of 292.29 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID79799036
Molecular FormulaC10H11F3N4OS
Molecular Weight292.29 g/mol
Exact Mass292.06
IUPAC Name1,1,1-trifluoro-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCc1csc(Cc2noc(C(C)(N)C(F)(F)F)n2)n1
InChIInChI=1S/C10H11F3N4OS/c1-5-4-19-7(15-5)3-6-16-8(18-17-6)9(2,14)10(11,12)13/h4H,3,14H2,1-2H3
InChIKeyAULKPBMQUPIXOD-UHFFFAOYSA-N
XLogP2.16
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of 1,1,1-trifluoro-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 79799036) is 1,1,1-trifluoro-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine is Cc1csc(Cc2noc(C(C)(N)C(F)(F)F)n2)n1.
What is the InChIKey of 1,1,1-trifluoro-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is AULKPBMQUPIXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4OS/c1-5-4-19-7(15-5)3-6-16-8(18-17-6)9(2,14)10(11,12)13/h4H,3,14H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine?
1,1,1-trifluoro-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 292.29 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 79799036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).