2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide

C17H23N5O2S — CID 50966081

IUPAC2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)CN2CCC(O)(c3ccccn3)CC2)s1
InChIInChI=1S/C17H23N5O2S/c1-2-5-15-20-21-16(25-15)19-14(23)12-22-10-7-17(24,8-11-22)13-6-3-4-9-18-13/h3-4,6,9,24H,2,5,7-8,10-12H2,1H3,(H,19,21,23)
InChIKeyVAINTXGQMHCECV-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.81
Rot. Bonds6

About 2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide

2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 50966081) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID50966081
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)CN2CCC(O)(c3ccccn3)CC2)s1
InChIInChI=1S/C17H23N5O2S/c1-2-5-15-20-21-16(25-15)19-14(23)12-22-10-7-17(24,8-11-22)13-6-3-4-9-18-13/h3-4,6,9,24H,2,5,7-8,10-12H2,1H3,(H,19,21,23)
InChIKeyVAINTXGQMHCECV-UHFFFAOYSA-N
XLogP1.81
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (CID 50966081) is 2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is CCCc1nnc(NC(=O)CN2CCC(O)(c3ccccn3)CC2)s1.
What is the InChIKey of 2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is VAINTXGQMHCECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-2-5-15-20-21-16(25-15)19-14(23)12-22-10-7-17(24,8-11-22)13-6-3-4-9-18-13/h3-4,6,9,24H,2,5,7-8,10-12H2,1H3,(H,19,21,23).
What are the key properties of 2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 361.47 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 50966081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).