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

C15H15F3N4OS — CID 133446157

IUPAC2-cyclopropyl-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazole
SMILESFC(F)(F)c1ccc(OC2CCN(c3nnc(C4CC4)s3)C2)nc1
InChIInChI=1S/C15H15F3N4OS/c16-15(17,18)10-3-4-12(19-7-10)23-11-5-6-22(8-11)14-21-20-13(24-14)9-1-2-9/h3-4,7,9,11H,1-2,5-6,8H2
InChIKeyBRZHHRPZFPOTCI-UHFFFAOYSA-N
MW356.37 g/mol
LogP3.49
Rot. Bonds4

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

2-cyclopropyl-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazole (PubChem CID 133446157) has the molecular formula C15H15F3N4OS and a molecular weight of 356.37 g/mol. Its IUPAC name is 2-cyclopropyl-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazole
PubChem CID133446157
Molecular FormulaC15H15F3N4OS
Molecular Weight356.37 g/mol
Exact Mass356.09
IUPAC Name2-cyclopropyl-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazole
SMILESFC(F)(F)c1ccc(OC2CCN(c3nnc(C4CC4)s3)C2)nc1
InChIInChI=1S/C15H15F3N4OS/c16-15(17,18)10-3-4-12(19-7-10)23-11-5-6-22(8-11)14-21-20-13(24-14)9-1-2-9/h3-4,7,9,11H,1-2,5-6,8H2
InChIKeyBRZHHRPZFPOTCI-UHFFFAOYSA-N
XLogP3.49
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-cyclopropyl-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazole (CID 133446157) is 2-cyclopropyl-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-cyclopropyl-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazole is FC(F)(F)c1ccc(OC2CCN(c3nnc(C4CC4)s3)C2)nc1.
What is the InChIKey of 2-cyclopropyl-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazole?
The InChIKey is BRZHHRPZFPOTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4OS/c16-15(17,18)10-3-4-12(19-7-10)23-11-5-6-22(8-11)14-21-20-13(24-14)9-1-2-9/h3-4,7,9,11H,1-2,5-6,8H2.
What are the key properties of 2-cyclopropyl-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazole?
2-cyclopropyl-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazole has a molecular weight of 356.37 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 133446157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).