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

C16H26N6O2S — CID 20886519

IUPAC2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-(2-piperidin-1-ylethyl)acetamide
SMILESCN(CC(=O)NCCN1CCCCC1)c1nnc(N2CCCC2=O)s1
InChIInChI=1S/C16H26N6O2S/c1-20(12-13(23)17-7-11-21-8-3-2-4-9-21)15-18-19-16(25-15)22-10-5-6-14(22)24/h2-12H2,1H3,(H,17,23)
InChIKeyPWJPFMWXGZYTNJ-UHFFFAOYSA-N
MW366.49 g/mol
LogP0.70
Rot. Bonds7

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

2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-(2-piperidin-1-ylethyl)acetamide (PubChem CID 20886519) has the molecular formula C16H26N6O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-(2-piperidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-(2-piperidin-1-ylethyl)acetamide
PubChem CID20886519
Molecular FormulaC16H26N6O2S
Molecular Weight366.49 g/mol
Exact Mass366.18
IUPAC Name2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-(2-piperidin-1-ylethyl)acetamide
SMILESCN(CC(=O)NCCN1CCCCC1)c1nnc(N2CCCC2=O)s1
InChIInChI=1S/C16H26N6O2S/c1-20(12-13(23)17-7-11-21-8-3-2-4-9-21)15-18-19-16(25-15)22-10-5-6-14(22)24/h2-12H2,1H3,(H,17,23)
InChIKeyPWJPFMWXGZYTNJ-UHFFFAOYSA-N
XLogP0.70
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(diethylamino)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
CID 9550583
N-Cycloheptyl-2-{methyl[5-(2-oxopyrrolidin-1-YL)-1,3,4-thiadiazol-2-YL]amino}acetamide
CID 22513591
N-ethyl-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
CID 6623893
N-cyclohexyl-2-{methyl[5-(2-oxo-1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]amino}acetamide
CID 6625554
1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-propylpiperidine-3-carboxamide
CID 22513476
1-(5-{Methyl[2-oxo-2-(piperidin-1-yl)ethyl]amino}-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one
CID 22513648
N~2~-methyl-N~2~-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-N~1~-(2-piperidin-1-ylethyl)glycinamide
CID 20958270
N-(Butan-2-YL)-1-[5-(2-oxopyrrolidin-1-YL)-1,3,4-thiadiazol-2-YL]pyrrolidine-2-carboxamide
CID 22513539
2-{Methyl[5-(2-oxopyrrolidin-1-YL)-1,3,4-thiadiazol-2-YL]amino}-N-propylacetamide
CID 22513600
N-cyclopentyl-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide
CID 22513592
N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 46344971
2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-(2-morpholin-4-ylethyl)acetamide
CID 20886291

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-(2-piperidin-1-ylethyl)acetamide?
The IUPAC name of 2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-(2-piperidin-1-ylethyl)acetamide (CID 20886519) is 2-[methyl-[5-(2-oxopyrrolidin-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-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-(2-piperidin-1-ylethyl)acetamide?
The canonical SMILES for 2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-(2-piperidin-1-ylethyl)acetamide is CN(CC(=O)NCCN1CCCCC1)c1nnc(N2CCCC2=O)s1.
What is the InChIKey of 2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-(2-piperidin-1-ylethyl)acetamide?
The InChIKey is PWJPFMWXGZYTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O2S/c1-20(12-13(23)17-7-11-21-8-3-2-4-9-21)15-18-19-16(25-15)22-10-5-6-14(22)24/h2-12H2,1H3,(H,17,23).
What are the key properties of 2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-(2-piperidin-1-ylethyl)acetamide?
2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-(2-piperidin-1-ylethyl)acetamide has a molecular weight of 366.49 g/mol, XLogP of 0.70, 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-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-(2-piperidin-1-ylethyl)acetamide is sourced from PubChem (CID 20886519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).