5-oxo-N-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide

C19H22N6O3S — CID 16881470

IUPAC5-oxo-N-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)Nc2nc(CC(=O)N3CCN(c4ccccn4)CC3)cs2)N1
InChIInChI=1S/C19H22N6O3S/c26-16-5-4-14(22-16)18(28)23-19-21-13(12-29-19)11-17(27)25-9-7-24(8-10-25)15-3-1-2-6-20-15/h1-3,6,12,14H,4-5,7-11H2,(H,22,26)(H,21,23,28)
InChIKeyHKBIGWKKWJYDOI-UHFFFAOYSA-N
MW414.49 g/mol
LogP0.65
Rot. Bonds5

About 5-oxo-N-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide

5-oxo-N-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide (PubChem CID 16881470) has the molecular formula C19H22N6O3S and a molecular weight of 414.49 g/mol. Its IUPAC name is 5-oxo-N-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
PubChem CID16881470
Molecular FormulaC19H22N6O3S
Molecular Weight414.49 g/mol
Exact Mass414.15
IUPAC Name5-oxo-N-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)Nc2nc(CC(=O)N3CCN(c4ccccn4)CC3)cs2)N1
InChIInChI=1S/C19H22N6O3S/c26-16-5-4-14(22-16)18(28)23-19-21-13(12-29-19)11-17(27)25-9-7-24(8-10-25)15-3-1-2-6-20-15/h1-3,6,12,14H,4-5,7-11H2,(H,22,26)(H,21,23,28)
InChIKeyHKBIGWKKWJYDOI-UHFFFAOYSA-N
XLogP0.65
TPSA107.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 5-oxo-N-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide (CID 16881470) is 5-oxo-N-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 5-oxo-N-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 5-oxo-N-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide is O=C1CCC(C(=O)Nc2nc(CC(=O)N3CCN(c4ccccn4)CC3)cs2)N1.
What is the InChIKey of 5-oxo-N-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is HKBIGWKKWJYDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3S/c26-16-5-4-14(22-16)18(28)23-19-21-13(12-29-19)11-17(27)25-9-7-24(8-10-25)15-3-1-2-6-20-15/h1-3,6,12,14H,4-5,7-11H2,(H,22,26)(H,21,23,28).
What are the key properties of 5-oxo-N-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide?
5-oxo-N-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 16881470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).