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

C17H26N6O3S — CID 20958246

IUPAC2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESCN(CC(=O)NCCCN1CCCC1=O)c1nnc(N2CCCCC2=O)s1
InChIInChI=1S/C17H26N6O3S/c1-21(12-13(24)18-8-5-10-22-9-4-7-14(22)25)16-19-20-17(27-16)23-11-3-2-6-15(23)26/h2-12H2,1H3,(H,18,24)
InChIKeyNAFXSRXEHUQXNK-UHFFFAOYSA-N
MW394.50 g/mol
LogP0.62
Rot. Bonds8

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

2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (PubChem CID 20958246) has the molecular formula C17H26N6O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
PubChem CID20958246
Molecular FormulaC17H26N6O3S
Molecular Weight394.50 g/mol
Exact Mass394.18
IUPAC Name2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESCN(CC(=O)NCCCN1CCCC1=O)c1nnc(N2CCCCC2=O)s1
InChIInChI=1S/C17H26N6O3S/c1-21(12-13(24)18-8-5-10-22-9-4-7-14(22)25)16-19-20-17(27-16)23-11-3-2-6-15(23)26/h2-12H2,1H3,(H,18,24)
InChIKeyNAFXSRXEHUQXNK-UHFFFAOYSA-N
XLogP0.62
TPSA98.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide
CID 22513623
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide
CID 20958090
N-[3-[butyl(furan-2-ylmethyl)amino]propyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide
CID 20958112
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide
CID 22513598
2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 20958096
1-[5-[methyl-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]amino]-1,3,4-thiadiazol-2-yl]piperidin-2-one
CID 46344990
2-(diethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86977577
2-(4-fluoro-N-methylanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 87014857
2-(2-oxopiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86984731
2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-(4-phenylbutan-2-yl)acetamide
CID 22513617
1-[5-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-methylamino]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
CID 22513644
2-[methyl-[2-oxo-2-[3-(2-oxoazepan-1-yl)propylamino]ethyl]amino]propanoic acid;hydrochloride
CID 119913641

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The IUPAC name of 2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (CID 20958246) is 2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is CN(CC(=O)NCCCN1CCCC1=O)c1nnc(N2CCCCC2=O)s1.
What is the InChIKey of 2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The InChIKey is NAFXSRXEHUQXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O3S/c1-21(12-13(24)18-8-5-10-22-9-4-7-14(22)25)16-19-20-17(27-16)23-11-3-2-6-15(23)26/h2-12H2,1H3,(H,18,24).
What are the key properties of 2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide has a molecular weight of 394.50 g/mol, XLogP of 0.62, 8 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-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is sourced from PubChem (CID 20958246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).