1-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-4-phenylpyrrolidin-2-one

C19H22N4O2S — CID 72913512

IUPAC1-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-4-phenylpyrrolidin-2-one
SMILESO=C(CN1CC(c2ccccc2)CC1=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C19H22N4O2S/c24-17-12-16(15-4-2-1-3-5-15)13-23(17)14-18(25)21-7-9-22(10-8-21)19-20-6-11-26-19/h1-6,11,16H,7-10,12-14H2
InChIKeyJOLWHWJQTGVSQH-UHFFFAOYSA-N
MW370.48 g/mol
LogP1.81
Rot. Bonds4

About 1-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-4-phenylpyrrolidin-2-one

1-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-4-phenylpyrrolidin-2-one (PubChem CID 72913512) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 1-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-4-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-4-phenylpyrrolidin-2-one
PubChem CID72913512
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name1-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-4-phenylpyrrolidin-2-one
SMILESO=C(CN1CC(c2ccccc2)CC1=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C19H22N4O2S/c24-17-12-16(15-4-2-1-3-5-15)13-23(17)14-18(25)21-7-9-22(10-8-21)19-20-6-11-26-19/h1-6,11,16H,7-10,12-14H2
InChIKeyJOLWHWJQTGVSQH-UHFFFAOYSA-N
XLogP1.81
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-4-phenylpyrrolidin-2-one?
The IUPAC name of 1-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-4-phenylpyrrolidin-2-one (CID 72913512) is 1-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-4-phenylpyrrolidin-2-one.
What is the SMILES notation for 1-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-4-phenylpyrrolidin-2-one?
The canonical SMILES for 1-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-4-phenylpyrrolidin-2-one is O=C(CN1CC(c2ccccc2)CC1=O)N1CCN(c2nccs2)CC1.
What is the InChIKey of 1-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-4-phenylpyrrolidin-2-one?
The InChIKey is JOLWHWJQTGVSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c24-17-12-16(15-4-2-1-3-5-15)13-23(17)14-18(25)21-7-9-22(10-8-21)19-20-6-11-26-19/h1-6,11,16H,7-10,12-14H2.
What are the key properties of 1-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-4-phenylpyrrolidin-2-one?
1-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-4-phenylpyrrolidin-2-one has a molecular weight of 370.48 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-4-phenylpyrrolidin-2-one is sourced from PubChem (CID 72913512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).