1-(4-cyclopropylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one

C21H24N4O2S — CID 118196848

IUPAC1-(4-cyclopropylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
SMILESO=C(c1nccs1)N1CCN(C2CC(=O)N(c3ccc(C4CC4)cc3)C2)CC1
InChIInChI=1S/C21H24N4O2S/c26-19-13-18(14-25(19)17-5-3-16(4-6-17)15-1-2-15)23-8-10-24(11-9-23)21(27)20-22-7-12-28-20/h3-7,12,15,18H,1-2,8-11,13-14H2
InChIKeyKWFMKBAVNIPRFX-UHFFFAOYSA-N
MW396.52 g/mol
LogP2.58
Rot. Bonds4

About 1-(4-cyclopropylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one

1-(4-cyclopropylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one (PubChem CID 118196848) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 1-(4-cyclopropylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-cyclopropylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
PubChem CID118196848
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name1-(4-cyclopropylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
SMILESO=C(c1nccs1)N1CCN(C2CC(=O)N(c3ccc(C4CC4)cc3)C2)CC1
InChIInChI=1S/C21H24N4O2S/c26-19-13-18(14-25(19)17-5-3-16(4-6-17)15-1-2-15)23-8-10-24(11-9-23)21(27)20-22-7-12-28-20/h3-7,12,15,18H,1-2,8-11,13-14H2
InChIKeyKWFMKBAVNIPRFX-UHFFFAOYSA-N
XLogP2.58
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(2-Chlorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122653897
1-(3-Phenylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 118196759
1-[3-(2-Methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 118196917
1-[3-(2-Methylphenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122653949
1-[3-(4-Chlorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122653972
1-[3-Fluoro-5-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122653979
1-[3-(3-Chlorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122653997
1-[4-Fluoro-3-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122654040
1-[3-(3-Methyl-2-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122659523
trans-(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-(4-phenylphenyl)-2-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 118727639
Eba93ntr7P
CID 165412132
trans-(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(5-methyl-1,3-thiazol-2-yl)-N-(4-phenylphenyl)cyclopropane-1-carboxamide
CID 118727644

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-(4-cyclopropylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one (CID 118196848) is 1-(4-cyclopropylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-cyclopropylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(4-cyclopropylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one is O=C(c1nccs1)N1CCN(C2CC(=O)N(c3ccc(C4CC4)cc3)C2)CC1.
What is the InChIKey of 1-(4-cyclopropylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The InChIKey is KWFMKBAVNIPRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c26-19-13-18(14-25(19)17-5-3-16(4-6-17)15-1-2-15)23-8-10-24(11-9-23)21(27)20-22-7-12-28-20/h3-7,12,15,18H,1-2,8-11,13-14H2.
What are the key properties of 1-(4-cyclopropylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
1-(4-cyclopropylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one has a molecular weight of 396.52 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 118196848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).