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

C21H25FN4O2S — CID 53125068

IUPAC1-[5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-propan-2-yl-1,3-thiazol-2-yl]pyrrolidin-2-one
SMILESCC(C)c1nc(N2CCCC2=O)sc1C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H25FN4O2S/c1-14(2)18-19(29-21(23-18)26-9-3-4-17(26)27)20(28)25-12-10-24(11-13-25)16-7-5-15(22)6-8-16/h5-8,14H,3-4,9-13H2,1-2H3
InChIKeyMRBNFMZOMLRPGZ-UHFFFAOYSA-N
MW416.52 g/mol
LogP3.49
Rot. Bonds4

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

1-[5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-propan-2-yl-1,3-thiazol-2-yl]pyrrolidin-2-one (PubChem CID 53125068) has the molecular formula C21H25FN4O2S and a molecular weight of 416.52 g/mol. Its IUPAC name is 1-[5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-propan-2-yl-1,3-thiazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-propan-2-yl-1,3-thiazol-2-yl]pyrrolidin-2-one
PubChem CID53125068
Molecular FormulaC21H25FN4O2S
Molecular Weight416.52 g/mol
Exact Mass416.17
IUPAC Name1-[5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-propan-2-yl-1,3-thiazol-2-yl]pyrrolidin-2-one
SMILESCC(C)c1nc(N2CCCC2=O)sc1C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H25FN4O2S/c1-14(2)18-19(29-21(23-18)26-9-3-4-17(26)27)20(28)25-12-10-24(11-13-25)16-7-5-15(22)6-8-16/h5-8,14H,3-4,9-13H2,1-2H3
InChIKeyMRBNFMZOMLRPGZ-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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Related Compounds

N-benzyl-2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methylthiazole-5-carboxamide
CID 25094597
2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(4-fluorobenzyl)-4-methylthiazole-5-carboxamide
CID 25094599
(R)-N-benzyl-2-(4-benzyl-2-oxoimidazolidin-1-yl)-4-methylthiazole-5-carboxamide
CID 25094874
2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-2-ylmethyl)thiazole-5-carboxamide
CID 25094875
2-(3-(4-fluorobenzyl)-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
CID 25095149
2-(3-(4-Fluorobenzyl)-2-oxoimidazolidin-1-yl)-4-methylthiazole-5-carboxamide
CID 58031443
2-(3-(cyclohexylmethyl)-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
CID 59481196
2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-4-ylmethyl)thiazole-5-carboxamide
CID 59481229
2-(3-(4-fluorobenzyl)-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-2-ylmethyl)thiazole-5-carboxamide
CID 59481280
2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(3-fluorobenzyl)-4-methylthiazole-5-carboxamide
CID 59481287
2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
CID 59481303
2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 6465336

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-propan-2-yl-1,3-thiazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-propan-2-yl-1,3-thiazol-2-yl]pyrrolidin-2-one (CID 53125068) is 1-[5-[4-(4-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-(4-fluorophenyl)piperazine-1-carbonyl]-4-propan-2-yl-1,3-thiazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[5-[4-(4-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(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-propan-2-yl-1,3-thiazol-2-yl]pyrrolidin-2-one?
The InChIKey is MRBNFMZOMLRPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2S/c1-14(2)18-19(29-21(23-18)26-9-3-4-17(26)27)20(28)25-12-10-24(11-13-25)16-7-5-15(22)6-8-16/h5-8,14H,3-4,9-13H2,1-2H3.
What are the key properties of 1-[5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-propan-2-yl-1,3-thiazol-2-yl]pyrrolidin-2-one?
1-[5-[4-(4-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-(4-fluorophenyl)piperazine-1-carbonyl]-4-propan-2-yl-1,3-thiazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 53125068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).