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

C17H28N6O2S — CID 20958270

IUPAC2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-(2-piperidin-1-ylethyl)acetamide
SMILESCN(CC(=O)NCCN1CCCCC1)c1nnc(N2CCCCC2=O)s1
InChIInChI=1S/C17H28N6O2S/c1-21(13-14(24)18-8-12-22-9-4-2-5-10-22)16-19-20-17(26-16)23-11-6-3-7-15(23)25/h2-13H2,1H3,(H,18,24)
InChIKeyFSTGJRUDKUWVRD-UHFFFAOYSA-N
MW380.52 g/mol
LogP1.09
Rot. Bonds7

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

2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-(2-piperidin-1-ylethyl)acetamide (PubChem CID 20958270) has the molecular formula C17H28N6O2S and a molecular weight of 380.52 g/mol. Its IUPAC name is 2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-(2-piperidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-(2-piperidin-1-ylethyl)acetamide
PubChem CID20958270
Molecular FormulaC17H28N6O2S
Molecular Weight380.52 g/mol
Exact Mass380.20
IUPAC Name2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-(2-piperidin-1-ylethyl)acetamide
SMILESCN(CC(=O)NCCN1CCCCC1)c1nnc(N2CCCCC2=O)s1
InChIInChI=1S/C17H28N6O2S/c1-21(13-14(24)18-8-12-22-9-4-2-5-10-22)16-19-20-17(26-16)23-11-6-3-7-15(23)25/h2-13H2,1H3,(H,18,24)
InChIKeyFSTGJRUDKUWVRD-UHFFFAOYSA-N
XLogP1.09
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-(2-piperidin-1-ylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-(2-piperidin-1-ylethyl)acetamide?
The IUPAC name of 2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-(2-piperidin-1-ylethyl)acetamide (CID 20958270) is 2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-(2-piperidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-(2-piperidin-1-ylethyl)acetamide?
The canonical SMILES for 2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-(2-piperidin-1-ylethyl)acetamide is CN(CC(=O)NCCN1CCCCC1)c1nnc(N2CCCCC2=O)s1.
What is the InChIKey of 2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-(2-piperidin-1-ylethyl)acetamide?
The InChIKey is FSTGJRUDKUWVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O2S/c1-21(13-14(24)18-8-12-22-9-4-2-5-10-22)16-19-20-17(26-16)23-11-6-3-7-15(23)25/h2-13H2,1H3,(H,18,24).
What are the key properties of 2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-(2-piperidin-1-ylethyl)acetamide?
2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-(2-piperidin-1-ylethyl)acetamide has a molecular weight of 380.52 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-(2-piperidin-1-ylethyl)acetamide is sourced from PubChem (CID 20958270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).