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

C13H22N4OS — CID 1399018

IUPAC2-methyl-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCC(C)C(=O)Nc1nnc(CCN2CCCCC2)s1
InChIInChI=1S/C13H22N4OS/c1-10(2)12(18)14-13-16-15-11(19-13)6-9-17-7-4-3-5-8-17/h10H,3-9H2,1-2H3,(H,14,16,18)
InChIKeyGNQHMLCDXYKWDX-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.16
Rot. Bonds5

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

2-methyl-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 1399018) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-methyl-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID1399018
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name2-methyl-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCC(C)C(=O)Nc1nnc(CCN2CCCCC2)s1
InChIInChI=1S/C13H22N4OS/c1-10(2)12(18)14-13-16-15-11(19-13)6-9-17-7-4-3-5-8-17/h10H,3-9H2,1-2H3,(H,14,16,18)
InChIKeyGNQHMLCDXYKWDX-UHFFFAOYSA-N
XLogP2.16
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide (CID 1399018) is 2-methyl-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide is CC(C)C(=O)Nc1nnc(CCN2CCCCC2)s1.
What is the InChIKey of 2-methyl-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is GNQHMLCDXYKWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-10(2)12(18)14-13-16-15-11(19-13)6-9-17-7-4-3-5-8-17/h10H,3-9H2,1-2H3,(H,14,16,18).
What are the key properties of 2-methyl-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide?
2-methyl-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 282.41 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 1399018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).