N-[4-[2-oxo-2-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]phenyl]acetamide

C17H19N3O2S — CID 122243076

IUPACN-[4-[2-oxo-2-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)N2CCC(c3nccs3)C2)cc1
InChIInChI=1S/C17H19N3O2S/c1-12(21)19-15-4-2-13(3-5-15)10-16(22)20-8-6-14(11-20)17-18-7-9-23-17/h2-5,7,9,14H,6,8,10-11H2,1H3,(H,19,21)
InChIKeyXDTZVOPGBUXXID-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.66
Rot. Bonds4

About N-[4-[2-oxo-2-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]phenyl]acetamide

N-[4-[2-oxo-2-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]phenyl]acetamide (PubChem CID 122243076) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[4-[2-oxo-2-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]phenyl]acetamide
PubChem CID122243076
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-[4-[2-oxo-2-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)N2CCC(c3nccs3)C2)cc1
InChIInChI=1S/C17H19N3O2S/c1-12(21)19-15-4-2-13(3-5-15)10-16(22)20-8-6-14(11-20)17-18-7-9-23-17/h2-5,7,9,14H,6,8,10-11H2,1H3,(H,19,21)
InChIKeyXDTZVOPGBUXXID-UHFFFAOYSA-N
XLogP2.66
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-oxo-2-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]phenyl]acetamide (CID 122243076) is N-[4-[2-oxo-2-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-oxo-2-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-oxo-2-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]phenyl]acetamide is CC(=O)Nc1ccc(CC(=O)N2CCC(c3nccs3)C2)cc1.
What is the InChIKey of N-[4-[2-oxo-2-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]phenyl]acetamide?
The InChIKey is XDTZVOPGBUXXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-12(21)19-15-4-2-13(3-5-15)10-16(22)20-8-6-14(11-20)17-18-7-9-23-17/h2-5,7,9,14H,6,8,10-11H2,1H3,(H,19,21).
What are the key properties of N-[4-[2-oxo-2-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]phenyl]acetamide?
N-[4-[2-oxo-2-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]phenyl]acetamide has a molecular weight of 329.43 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]phenyl]acetamide is sourced from PubChem (CID 122243076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).