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

C16H21N3OS — CID 75520482

IUPAC1-[1-(5-benzyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]ethanol
SMILESCC(O)C1CCCN(c2nnc(Cc3ccccc3)s2)C1
InChIInChI=1S/C16H21N3OS/c1-12(20)14-8-5-9-19(11-14)16-18-17-15(21-16)10-13-6-3-2-4-7-13/h2-4,6-7,12,14,20H,5,8-11H2,1H3
InChIKeyQCXPLGAYXZYHBD-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.73
Rot. Bonds4

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

1-[1-(5-benzyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]ethanol (PubChem CID 75520482) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 1-[1-(5-benzyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(5-benzyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]ethanol
PubChem CID75520482
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name1-[1-(5-benzyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]ethanol
SMILESCC(O)C1CCCN(c2nnc(Cc3ccccc3)s2)C1
InChIInChI=1S/C16H21N3OS/c1-12(20)14-8-5-9-19(11-14)16-18-17-15(21-16)10-13-6-3-2-4-7-13/h2-4,6-7,12,14,20H,5,8-11H2,1H3
InChIKeyQCXPLGAYXZYHBD-UHFFFAOYSA-N
XLogP2.73
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-benzyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]ethanol?
The IUPAC name of 1-[1-(5-benzyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]ethanol (CID 75520482) is 1-[1-(5-benzyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(5-benzyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(5-benzyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]ethanol is CC(O)C1CCCN(c2nnc(Cc3ccccc3)s2)C1.
What is the InChIKey of 1-[1-(5-benzyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]ethanol?
The InChIKey is QCXPLGAYXZYHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-12(20)14-8-5-9-19(11-14)16-18-17-15(21-16)10-13-6-3-2-4-7-13/h2-4,6-7,12,14,20H,5,8-11H2,1H3.
What are the key properties of 1-[1-(5-benzyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]ethanol?
1-[1-(5-benzyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]ethanol has a molecular weight of 303.43 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-benzyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]ethanol is sourced from PubChem (CID 75520482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).