1-[1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]ethanol

C16H20FN3OS — CID 133451453

IUPAC1-[1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]ethanol
SMILESCC(O)C1CCCN(c2nnc(Cc3ccccc3F)s2)C1
InChIInChI=1S/C16H20FN3OS/c1-11(21)13-6-4-8-20(10-13)16-19-18-15(22-16)9-12-5-2-3-7-14(12)17/h2-3,5,7,11,13,21H,4,6,8-10H2,1H3
InChIKeyJUIORZOIQIHNAI-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.87
Rot. Bonds4

About 1-[1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]ethanol

1-[1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]ethanol (PubChem CID 133451453) has the molecular formula C16H20FN3OS and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-[1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]ethanol
PubChem CID133451453
Molecular FormulaC16H20FN3OS
Molecular Weight321.42 g/mol
Exact Mass321.13
IUPAC Name1-[1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]ethanol
SMILESCC(O)C1CCCN(c2nnc(Cc3ccccc3F)s2)C1
InChIInChI=1S/C16H20FN3OS/c1-11(21)13-6-4-8-20(10-13)16-19-18-15(22-16)9-12-5-2-3-7-14(12)17/h2-3,5,7,11,13,21H,4,6,8-10H2,1H3
InChIKeyJUIORZOIQIHNAI-UHFFFAOYSA-N
XLogP2.87
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]ethanol?
The IUPAC name of 1-[1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]ethanol (CID 133451453) is 1-[1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]ethanol is CC(O)C1CCCN(c2nnc(Cc3ccccc3F)s2)C1.
What is the InChIKey of 1-[1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]ethanol?
The InChIKey is JUIORZOIQIHNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3OS/c1-11(21)13-6-4-8-20(10-13)16-19-18-15(22-16)9-12-5-2-3-7-14(12)17/h2-3,5,7,11,13,21H,4,6,8-10H2,1H3.
What are the key properties of 1-[1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]ethanol?
1-[1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]ethanol has a molecular weight of 321.42 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]ethanol is sourced from PubChem (CID 133451453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).