1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[1-(oxan-4-yl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide

C19H29N5O3S — CID 154818046

IUPAC1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[1-(oxan-4-yl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1nnc(N2CC(C(=O)NC3CCN(C4CCOCC4)CC3)CC2=O)s1
InChIInChI=1S/C19H29N5O3S/c1-2-16-21-22-19(28-16)24-12-13(11-17(24)25)18(26)20-14-3-7-23(8-4-14)15-5-9-27-10-6-15/h13-15H,2-12H2,1H3,(H,20,26)
InChIKeyLNPIUQGURBDXSM-UHFFFAOYSA-N
MW407.54 g/mol
LogP1.21
Rot. Bonds5

About 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[1-(oxan-4-yl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide

1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[1-(oxan-4-yl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 154818046) has the molecular formula C19H29N5O3S and a molecular weight of 407.54 g/mol. Its IUPAC name is 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[1-(oxan-4-yl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[1-(oxan-4-yl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID154818046
Molecular FormulaC19H29N5O3S
Molecular Weight407.54 g/mol
Exact Mass407.20
IUPAC Name1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[1-(oxan-4-yl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1nnc(N2CC(C(=O)NC3CCN(C4CCOCC4)CC3)CC2=O)s1
InChIInChI=1S/C19H29N5O3S/c1-2-16-21-22-19(28-16)24-12-13(11-17(24)25)18(26)20-14-3-7-23(8-4-14)15-5-9-27-10-6-15/h13-15H,2-12H2,1H3,(H,20,26)
InChIKeyLNPIUQGURBDXSM-UHFFFAOYSA-N
XLogP1.21
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[1-(oxan-4-yl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide 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 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[1-(oxan-4-yl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[1-(oxan-4-yl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide (CID 154818046) is 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[1-(oxan-4-yl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[1-(oxan-4-yl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[1-(oxan-4-yl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide is CCc1nnc(N2CC(C(=O)NC3CCN(C4CCOCC4)CC3)CC2=O)s1.
What is the InChIKey of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[1-(oxan-4-yl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LNPIUQGURBDXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3S/c1-2-16-21-22-19(28-16)24-12-13(11-17(24)25)18(26)20-14-3-7-23(8-4-14)15-5-9-27-10-6-15/h13-15H,2-12H2,1H3,(H,20,26).
What are the key properties of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[1-(oxan-4-yl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide?
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[1-(oxan-4-yl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 407.54 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[1-(oxan-4-yl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 154818046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).