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

C15H18FN3OS — CID 133465840

IUPAC[1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methanol
SMILESOCC1CCCN(c2nnc(Cc3ccc(F)cc3)s2)C1
InChIInChI=1S/C15H18FN3OS/c16-13-5-3-11(4-6-13)8-14-17-18-15(21-14)19-7-1-2-12(9-19)10-20/h3-6,12,20H,1-2,7-10H2
InChIKeyLHIOYNVTJDZPMG-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.48
Rot. Bonds4

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

[1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methanol (PubChem CID 133465840) 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]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methanol
PubChem CID133465840
Molecular FormulaC15H18FN3OS
Molecular Weight307.39 g/mol
Exact Mass307.12
IUPAC Name[1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methanol
SMILESOCC1CCCN(c2nnc(Cc3ccc(F)cc3)s2)C1
InChIInChI=1S/C15H18FN3OS/c16-13-5-3-11(4-6-13)8-14-17-18-15(21-14)19-7-1-2-12(9-19)10-20/h3-6,12,20H,1-2,7-10H2
InChIKeyLHIOYNVTJDZPMG-UHFFFAOYSA-N
XLogP2.48
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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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Related Compounds

(2S)-2-[4-(5-benzyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]butan-1-ol
CID 97813935
(1S)-1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-3-phenylpropan-1-ol
CID 129610294
(5-Piperidin-1-yl-1,3,4-thiadiazol-2-yl)-(3,4,5-trifluorophenyl)methanol
CID 132456210
1-[[5-[(4-Fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-2-methylpropan-1-ol
CID 167288145
4-[5-[(4-Fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine
CID 75456473
[1-[5-[(4-Fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylpiperidin-3-yl]methanol
CID 75504391
[4-[5-[(4-Fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanol
CID 75521241
1-[5-[(4-Fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-3-ol
CID 86789266
(2S)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine
CID 97353256
(2R)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine
CID 97353257
[(2S)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanol
CID 97823720
[(2R)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanol
CID 97823721

Frequently Asked Questions

What is the IUPAC name of [1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methanol?
The IUPAC name of [1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methanol (CID 133465840) is [1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methanol is OCC1CCCN(c2nnc(Cc3ccc(F)cc3)s2)C1.
What is the InChIKey of [1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methanol?
The InChIKey is LHIOYNVTJDZPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3OS/c16-13-5-3-11(4-6-13)8-14-17-18-15(21-14)19-7-1-2-12(9-19)10-20/h3-6,12,20H,1-2,7-10H2.
What are the key properties of [1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methanol?
[1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methanol has a molecular weight of 307.39 g/mol, XLogP of 2.48, 4 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]piperidin-3-yl]methanol is sourced from PubChem (CID 133465840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).