1-[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4-propan-2-yl-1,3-thiazol-2-yl]pyrrolidin-2-one

C21H25FN4O2S — CID 53125072

IUPAC1-[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4-propan-2-yl-1,3-thiazol-2-yl]pyrrolidin-2-one
SMILESCC(C)c1nc(N2CCCC2=O)sc1C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H25FN4O2S/c1-14(2)18-19(29-21(23-18)26-9-5-8-17(26)27)20(28)25-12-10-24(11-13-25)16-7-4-3-6-15(16)22/h3-4,6-7,14H,5,8-13H2,1-2H3
InChIKeyLJEPHZLUVXJIDO-UHFFFAOYSA-N
MW416.52 g/mol
LogP3.49
Rot. Bonds4

About 1-[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4-propan-2-yl-1,3-thiazol-2-yl]pyrrolidin-2-one

1-[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4-propan-2-yl-1,3-thiazol-2-yl]pyrrolidin-2-one (PubChem CID 53125072) has the molecular formula C21H25FN4O2S and a molecular weight of 416.52 g/mol. Its IUPAC name is 1-[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4-propan-2-yl-1,3-thiazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4-propan-2-yl-1,3-thiazol-2-yl]pyrrolidin-2-one
PubChem CID53125072
Molecular FormulaC21H25FN4O2S
Molecular Weight416.52 g/mol
Exact Mass416.17
IUPAC Name1-[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4-propan-2-yl-1,3-thiazol-2-yl]pyrrolidin-2-one
SMILESCC(C)c1nc(N2CCCC2=O)sc1C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H25FN4O2S/c1-14(2)18-19(29-21(23-18)26-9-5-8-17(26)27)20(28)25-12-10-24(11-13-25)16-7-4-3-6-15(16)22/h3-4,6-7,14H,5,8-13H2,1-2H3
InChIKeyLJEPHZLUVXJIDO-UHFFFAOYSA-N
XLogP3.49
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4-propan-2-yl-1,3-thiazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4-propan-2-yl-1,3-thiazol-2-yl]pyrrolidin-2-one (CID 53125072) is 1-[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4-propan-2-yl-1,3-thiazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4-propan-2-yl-1,3-thiazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4-propan-2-yl-1,3-thiazol-2-yl]pyrrolidin-2-one is CC(C)c1nc(N2CCCC2=O)sc1C(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4-propan-2-yl-1,3-thiazol-2-yl]pyrrolidin-2-one?
The InChIKey is LJEPHZLUVXJIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2S/c1-14(2)18-19(29-21(23-18)26-9-5-8-17(26)27)20(28)25-12-10-24(11-13-25)16-7-4-3-6-15(16)22/h3-4,6-7,14H,5,8-13H2,1-2H3.
What are the key properties of 1-[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4-propan-2-yl-1,3-thiazol-2-yl]pyrrolidin-2-one?
1-[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4-propan-2-yl-1,3-thiazol-2-yl]pyrrolidin-2-one has a molecular weight of 416.52 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4-propan-2-yl-1,3-thiazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 53125072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).