N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylacetamide

C15H18N4OS — CID 818161

IUPACN-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C15H18N4OS/c20-13(11-19-9-5-2-6-10-19)16-15-18-17-14(21-15)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,16,18,20)
InChIKeyVFPVKGXEGPWSBE-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.63
Rot. Bonds4

About N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylacetamide

N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylacetamide (PubChem CID 818161) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylacetamide
PubChem CID818161
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC NameN-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C15H18N4OS/c20-13(11-19-9-5-2-6-10-19)16-15-18-17-14(21-15)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,16,18,20)
InChIKeyVFPVKGXEGPWSBE-UHFFFAOYSA-N
XLogP2.63
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylacetamide?
The IUPAC name of N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylacetamide (CID 818161) is N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylacetamide?
The canonical SMILES for N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylacetamide is O=C(CN1CCCCC1)Nc1nnc(-c2ccccc2)s1.
What is the InChIKey of N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylacetamide?
The InChIKey is VFPVKGXEGPWSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c20-13(11-19-9-5-2-6-10-19)16-15-18-17-14(21-15)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,16,18,20).
What are the key properties of N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylacetamide?
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylacetamide has a molecular weight of 302.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylacetamide is sourced from PubChem (CID 818161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).