2-propan-2-yl-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazole

C15H17F3N4OS — CID 133446133

IUPAC2-propan-2-yl-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazole
SMILESCC(C)c1nnc(N2CCC(Oc3ccc(C(F)(F)F)cn3)C2)s1
InChIInChI=1S/C15H17F3N4OS/c1-9(2)13-20-21-14(24-13)22-6-5-11(8-22)23-12-4-3-10(7-19-12)15(16,17)18/h3-4,7,9,11H,5-6,8H2,1-2H3
InChIKeyKPJHSYUUXUHQJD-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.73
Rot. Bonds4

About 2-propan-2-yl-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazole

2-propan-2-yl-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazole (PubChem CID 133446133) has the molecular formula C15H17F3N4OS and a molecular weight of 358.39 g/mol. Its IUPAC name is 2-propan-2-yl-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-propan-2-yl-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazole
PubChem CID133446133
Molecular FormulaC15H17F3N4OS
Molecular Weight358.39 g/mol
Exact Mass358.11
IUPAC Name2-propan-2-yl-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazole
SMILESCC(C)c1nnc(N2CCC(Oc3ccc(C(F)(F)F)cn3)C2)s1
InChIInChI=1S/C15H17F3N4OS/c1-9(2)13-20-21-14(24-13)22-6-5-11(8-22)23-12-4-3-10(7-19-12)15(16,17)18/h3-4,7,9,11H,5-6,8H2,1-2H3
InChIKeyKPJHSYUUXUHQJD-UHFFFAOYSA-N
XLogP3.73
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-propan-2-yl-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazole (CID 133446133) is 2-propan-2-yl-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-propan-2-yl-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-propan-2-yl-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazole is CC(C)c1nnc(N2CCC(Oc3ccc(C(F)(F)F)cn3)C2)s1.
What is the InChIKey of 2-propan-2-yl-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazole?
The InChIKey is KPJHSYUUXUHQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4OS/c1-9(2)13-20-21-14(24-13)22-6-5-11(8-22)23-12-4-3-10(7-19-12)15(16,17)18/h3-4,7,9,11H,5-6,8H2,1-2H3.
What are the key properties of 2-propan-2-yl-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazole?
2-propan-2-yl-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazole has a molecular weight of 358.39 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 133446133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).