3-hydroxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide

C13H22N4O2S — CID 110890992

IUPAC3-hydroxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
SMILESCCC(CC)c1nnc(NC(=O)N2CCCC(O)C2)s1
InChIInChI=1S/C13H22N4O2S/c1-3-9(4-2)11-15-16-12(20-11)14-13(19)17-7-5-6-10(18)8-17/h9-10,18H,3-8H2,1-2H3,(H,14,16,19)
InChIKeyJPVVFLKLIZGNEC-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.43
Rot. Bonds4

About 3-hydroxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide

3-hydroxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide (PubChem CID 110890992) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-hydroxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
PubChem CID110890992
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name3-hydroxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
SMILESCCC(CC)c1nnc(NC(=O)N2CCCC(O)C2)s1
InChIInChI=1S/C13H22N4O2S/c1-3-9(4-2)11-15-16-12(20-11)14-13(19)17-7-5-6-10(18)8-17/h9-10,18H,3-8H2,1-2H3,(H,14,16,19)
InChIKeyJPVVFLKLIZGNEC-UHFFFAOYSA-N
XLogP2.43
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of 3-hydroxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide (CID 110890992) is 3-hydroxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide is CCC(CC)c1nnc(NC(=O)N2CCCC(O)C2)s1.
What is the InChIKey of 3-hydroxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is JPVVFLKLIZGNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-3-9(4-2)11-15-16-12(20-11)14-13(19)17-7-5-6-10(18)8-17/h9-10,18H,3-8H2,1-2H3,(H,14,16,19).
What are the key properties of 3-hydroxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
3-hydroxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 110890992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).