1-[5-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one

C14H21N5O2S — CID 22513648

IUPAC1-[5-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
SMILESCN(CC(=O)N1CCCCC1)c1nnc(N2CCCC2=O)s1
InChIInChI=1S/C14H21N5O2S/c1-17(10-12(21)18-7-3-2-4-8-18)13-15-16-14(22-13)19-9-5-6-11(19)20/h2-10H2,1H3
InChIKeyCXKDHCSMONNENV-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.11
Rot. Bonds4

About 1-[5-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one

1-[5-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one (PubChem CID 22513648) has the molecular formula C14H21N5O2S and a molecular weight of 323.42 g/mol. Its IUPAC name is 1-[5-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[5-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
PubChem CID22513648
Molecular FormulaC14H21N5O2S
Molecular Weight323.42 g/mol
Exact Mass323.14
IUPAC Name1-[5-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
SMILESCN(CC(=O)N1CCCCC1)c1nnc(N2CCCC2=O)s1
InChIInChI=1S/C14H21N5O2S/c1-17(10-12(21)18-7-3-2-4-8-18)13-15-16-14(22-13)19-9-5-6-11(19)20/h2-10H2,1H3
InChIKeyCXKDHCSMONNENV-UHFFFAOYSA-N
XLogP1.11
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[5-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one (CID 22513648) is 1-[5-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[5-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[5-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one is CN(CC(=O)N1CCCCC1)c1nnc(N2CCCC2=O)s1.
What is the InChIKey of 1-[5-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one?
The InChIKey is CXKDHCSMONNENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2S/c1-17(10-12(21)18-7-3-2-4-8-18)13-15-16-14(22-13)19-9-5-6-11(19)20/h2-10H2,1H3.
What are the key properties of 1-[5-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one?
1-[5-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one has a molecular weight of 323.42 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 22513648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).