1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-3-ol

C15H18FN3OS — CID 86789266

IUPAC1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-3-ol
SMILESCC1CCN(c2nnc(Cc3ccc(F)cc3)s2)CC1O
InChIInChI=1S/C15H18FN3OS/c1-10-6-7-19(9-13(10)20)15-18-17-14(21-15)8-11-2-4-12(16)5-3-11/h2-5,10,13,20H,6-9H2,1H3
InChIKeyGXLLCALYOYSYBC-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.48
Rot. Bonds3

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

1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-3-ol (PubChem CID 86789266) has the molecular formula C15H18FN3OS and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-3-ol
PubChem CID86789266
Molecular FormulaC15H18FN3OS
Molecular Weight307.39 g/mol
Exact Mass307.12
IUPAC Name1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-3-ol
SMILESCC1CCN(c2nnc(Cc3ccc(F)cc3)s2)CC1O
InChIInChI=1S/C15H18FN3OS/c1-10-6-7-19(9-13(10)20)15-18-17-14(21-15)8-11-2-4-12(16)5-3-11/h2-5,10,13,20H,6-9H2,1H3
InChIKeyGXLLCALYOYSYBC-UHFFFAOYSA-N
XLogP2.48
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-3-ol (CID 86789266) is 1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-3-ol is CC1CCN(c2nnc(Cc3ccc(F)cc3)s2)CC1O.
What is the InChIKey of 1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-3-ol?
The InChIKey is GXLLCALYOYSYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3OS/c1-10-6-7-19(9-13(10)20)15-18-17-14(21-15)8-11-2-4-12(16)5-3-11/h2-5,10,13,20H,6-9H2,1H3.
What are the key properties of 1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-3-ol?
1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-3-ol has a molecular weight of 307.39 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-3-ol is sourced from PubChem (CID 86789266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).