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

C16H20ClN3OS — CID 133495025

IUPAC1-[1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]ethanol
SMILESCC(O)C1CCCN(c2nnc(Cc3ccc(Cl)cc3)s2)C1
InChIInChI=1S/C16H20ClN3OS/c1-11(21)13-3-2-8-20(10-13)16-19-18-15(22-16)9-12-4-6-14(17)7-5-12/h4-7,11,13,21H,2-3,8-10H2,1H3
InChIKeyVLPVKCSMQHIMBR-UHFFFAOYSA-N
MW337.88 g/mol
LogP3.38
Rot. Bonds4

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

1-[1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]ethanol (PubChem CID 133495025) has the molecular formula C16H20ClN3OS and a molecular weight of 337.88 g/mol. Its IUPAC name is 1-[1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]ethanol
PubChem CID133495025
Molecular FormulaC16H20ClN3OS
Molecular Weight337.88 g/mol
Exact Mass337.10
IUPAC Name1-[1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]ethanol
SMILESCC(O)C1CCCN(c2nnc(Cc3ccc(Cl)cc3)s2)C1
InChIInChI=1S/C16H20ClN3OS/c1-11(21)13-3-2-8-20(10-13)16-19-18-15(22-16)9-12-4-6-14(17)7-5-12/h4-7,11,13,21H,2-3,8-10H2,1H3
InChIKeyVLPVKCSMQHIMBR-UHFFFAOYSA-N
XLogP3.38
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.88
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[5-[(4-Fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylpiperidin-3-yl]methanol
CID 75504391
[(3S)-1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylpiperidin-3-yl]methanol
CID 97823746
[(3R)-1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylpiperidin-3-yl]methanol
CID 97823749
1-[1-[5-[(2-Fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]ethanol
CID 133451453
[1-[5-[(2-Fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylpiperidin-3-yl]methanol
CID 133451626
(4-Chlorophenyl)-[1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]methanol
CID 133457928
[1-[5-[(4-Fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methanol
CID 133465840
[1-[5-[(4-Chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-(4-fluorophenyl)methanol
CID 133519137
1-(5-Benzyl-1,3,4-thiadiazol-2-yl)-4-methylpiperidin-3-ol
CID 75503286
1-[1-(5-Benzyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]ethanol
CID 75520482
(1S)-1-[(3R)-1-(5-benzyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]ethanol
CID 97813969
(1R)-1-[(3R)-1-(5-benzyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]ethanol
CID 97813970

Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]ethanol?
The IUPAC name of 1-[1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]ethanol (CID 133495025) is 1-[1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]ethanol is CC(O)C1CCCN(c2nnc(Cc3ccc(Cl)cc3)s2)C1.
What is the InChIKey of 1-[1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]ethanol?
The InChIKey is VLPVKCSMQHIMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3OS/c1-11(21)13-3-2-8-20(10-13)16-19-18-15(22-16)9-12-4-6-14(17)7-5-12/h4-7,11,13,21H,2-3,8-10H2,1H3.
What are the key properties of 1-[1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]ethanol?
1-[1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]ethanol has a molecular weight of 337.88 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]ethanol is sourced from PubChem (CID 133495025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).