N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide

C11H18N4OS — CID 2039148

IUPACN-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(CCN2CCCCC2)s1
InChIInChI=1S/C11H18N4OS/c1-9(16)12-11-14-13-10(17-11)5-8-15-6-3-2-4-7-15/h2-8H2,1H3,(H,12,14,16)
InChIKeyLVTRMTXDARORGM-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.52
Rot. Bonds4

About N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide

N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 2039148) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID2039148
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC NameN-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(CCN2CCCCC2)s1
InChIInChI=1S/C11H18N4OS/c1-9(16)12-11-14-13-10(17-11)5-8-15-6-3-2-4-7-15/h2-8H2,1H3,(H,12,14,16)
InChIKeyLVTRMTXDARORGM-UHFFFAOYSA-N
XLogP1.52
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 2039148) is N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(CCN2CCCCC2)s1.
What is the InChIKey of N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is LVTRMTXDARORGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-9(16)12-11-14-13-10(17-11)5-8-15-6-3-2-4-7-15/h2-8H2,1H3,(H,12,14,16).
What are the key properties of N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 254.36 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 2039148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).