2-methyl-5-[6-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]-1,3,4-thiadiazole

C15H16F3N3OS — CID 146681540

IUPAC2-methyl-5-[6-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]-1,3,4-thiadiazole
SMILESCc1nnc(C2CCC(Oc3ccc(C(F)(F)F)cc3)NC2)s1
InChIInChI=1S/C15H16F3N3OS/c1-9-20-21-14(23-9)10-2-7-13(19-8-10)22-12-5-3-11(4-6-12)15(16,17)18/h3-6,10,13,19H,2,7-8H2,1H3
InChIKeyQHWAUUUWMHBNGM-UHFFFAOYSA-N
MW343.37 g/mol
LogP3.74
Rot. Bonds3

About 2-methyl-5-[6-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]-1,3,4-thiadiazole

2-methyl-5-[6-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]-1,3,4-thiadiazole (PubChem CID 146681540) has the molecular formula C15H16F3N3OS and a molecular weight of 343.37 g/mol. Its IUPAC name is 2-methyl-5-[6-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-[6-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]-1,3,4-thiadiazole
PubChem CID146681540
Molecular FormulaC15H16F3N3OS
Molecular Weight343.37 g/mol
Exact Mass343.10
IUPAC Name2-methyl-5-[6-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]-1,3,4-thiadiazole
SMILESCc1nnc(C2CCC(Oc3ccc(C(F)(F)F)cc3)NC2)s1
InChIInChI=1S/C15H16F3N3OS/c1-9-20-21-14(23-9)10-2-7-13(19-8-10)22-12-5-3-11(4-6-12)15(16,17)18/h3-6,10,13,19H,2,7-8H2,1H3
InChIKeyQHWAUUUWMHBNGM-UHFFFAOYSA-N
XLogP3.74
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[6-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-[6-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]-1,3,4-thiadiazole (CID 146681540) is 2-methyl-5-[6-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-[6-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-[6-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]-1,3,4-thiadiazole is Cc1nnc(C2CCC(Oc3ccc(C(F)(F)F)cc3)NC2)s1.
What is the InChIKey of 2-methyl-5-[6-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]-1,3,4-thiadiazole?
The InChIKey is QHWAUUUWMHBNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3OS/c1-9-20-21-14(23-9)10-2-7-13(19-8-10)22-12-5-3-11(4-6-12)15(16,17)18/h3-6,10,13,19H,2,7-8H2,1H3.
What are the key properties of 2-methyl-5-[6-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]-1,3,4-thiadiazole?
2-methyl-5-[6-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]-1,3,4-thiadiazole has a molecular weight of 343.37 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[6-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 146681540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).