2-methyl-N-[[5-(3,3,3-trifluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine

C10H16F3N3OS — CID 82958771

IUPAC2-methyl-N-[[5-(3,3,3-trifluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1nnc(OCCC(F)(F)F)s1
InChIInChI=1S/C10H16F3N3OS/c1-7(2)5-14-6-8-15-16-9(18-8)17-4-3-10(11,12)13/h7,14H,3-6H2,1-2H3
InChIKeyTULLQXATRFURCC-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.61
Rot. Bonds7

About 2-methyl-N-[[5-(3,3,3-trifluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine

2-methyl-N-[[5-(3,3,3-trifluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine (PubChem CID 82958771) has the molecular formula C10H16F3N3OS and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-methyl-N-[[5-(3,3,3-trifluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(3,3,3-trifluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
PubChem CID82958771
Molecular FormulaC10H16F3N3OS
Molecular Weight283.32 g/mol
Exact Mass283.10
IUPAC Name2-methyl-N-[[5-(3,3,3-trifluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1nnc(OCCC(F)(F)F)s1
InChIInChI=1S/C10H16F3N3OS/c1-7(2)5-14-6-8-15-16-9(18-8)17-4-3-10(11,12)13/h7,14H,3-6H2,1-2H3
InChIKeyTULLQXATRFURCC-UHFFFAOYSA-N
XLogP2.61
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(3,3,3-trifluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-(3,3,3-trifluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine (CID 82958771) is 2-methyl-N-[[5-(3,3,3-trifluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-(3,3,3-trifluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-(3,3,3-trifluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine is CC(C)CNCc1nnc(OCCC(F)(F)F)s1.
What is the InChIKey of 2-methyl-N-[[5-(3,3,3-trifluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine?
The InChIKey is TULLQXATRFURCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3OS/c1-7(2)5-14-6-8-15-16-9(18-8)17-4-3-10(11,12)13/h7,14H,3-6H2,1-2H3.
What are the key properties of 2-methyl-N-[[5-(3,3,3-trifluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine?
2-methyl-N-[[5-(3,3,3-trifluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine has a molecular weight of 283.32 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(3,3,3-trifluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 82958771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).