1-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-methylpiperidin-3-ol

C15H19N3OS — CID 75503286

IUPAC1-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-methylpiperidin-3-ol
SMILESCC1CCN(c2nnc(Cc3ccccc3)s2)CC1O
InChIInChI=1S/C15H19N3OS/c1-11-7-8-18(10-13(11)19)15-17-16-14(20-15)9-12-5-3-2-4-6-12/h2-6,11,13,19H,7-10H2,1H3
InChIKeyMPBRJDUSLIPXSA-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.34
Rot. Bonds3

About 1-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-methylpiperidin-3-ol

1-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-methylpiperidin-3-ol (PubChem CID 75503286) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-methylpiperidin-3-ol
PubChem CID75503286
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name1-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-methylpiperidin-3-ol
SMILESCC1CCN(c2nnc(Cc3ccccc3)s2)CC1O
InChIInChI=1S/C15H19N3OS/c1-11-7-8-18(10-13(11)19)15-17-16-14(20-15)9-12-5-3-2-4-6-12/h2-6,11,13,19H,7-10H2,1H3
InChIKeyMPBRJDUSLIPXSA-UHFFFAOYSA-N
XLogP2.34
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-methylpiperidin-3-ol?
The IUPAC name of 1-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-methylpiperidin-3-ol (CID 75503286) is 1-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-methylpiperidin-3-ol?
The canonical SMILES for 1-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-methylpiperidin-3-ol is CC1CCN(c2nnc(Cc3ccccc3)s2)CC1O.
What is the InChIKey of 1-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-methylpiperidin-3-ol?
The InChIKey is MPBRJDUSLIPXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-11-7-8-18(10-13(11)19)15-17-16-14(20-15)9-12-5-3-2-4-6-12/h2-6,11,13,19H,7-10H2,1H3.
What are the key properties of 1-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-methylpiperidin-3-ol?
1-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-methylpiperidin-3-ol has a molecular weight of 289.40 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-methylpiperidin-3-ol is sourced from PubChem (CID 75503286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).