1-[[2-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]methyl]pyrrolidin-2-one

C22H30N4O2S — CID 10047430

IUPAC1-[[2-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]methyl]pyrrolidin-2-one
SMILESCC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCC3=O)cs2)CC1
InChIInChI=1S/C22H30N4O2S/c1-17(2)28-20-7-4-3-6-19(20)25-12-10-24(11-13-25)15-21-23-18(16-29-21)14-26-9-5-8-22(26)27/h3-4,6-7,16-17H,5,8-15H2,1-2H3
InChIKeyXERNBNISTSVJGK-UHFFFAOYSA-N
MW414.58 g/mol
LogP3.37
Rot. Bonds7

About 1-[[2-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]methyl]pyrrolidin-2-one

1-[[2-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]methyl]pyrrolidin-2-one (PubChem CID 10047430) has the molecular formula C22H30N4O2S and a molecular weight of 414.58 g/mol. Its IUPAC name is 1-[[2-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[2-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]methyl]pyrrolidin-2-one
PubChem CID10047430
Molecular FormulaC22H30N4O2S
Molecular Weight414.58 g/mol
Exact Mass414.21
IUPAC Name1-[[2-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]methyl]pyrrolidin-2-one
SMILESCC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCC3=O)cs2)CC1
InChIInChI=1S/C22H30N4O2S/c1-17(2)28-20-7-4-3-6-19(20)25-12-10-24(11-13-25)15-21-23-18(16-29-21)14-26-9-5-8-22(26)27/h3-4,6-7,16-17H,5,8-15H2,1-2H3
InChIKeyXERNBNISTSVJGK-UHFFFAOYSA-N
XLogP3.37
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.58
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[[2-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]methyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[2-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]methyl]pyrrolidin-2-one (CID 10047430) is 1-[[2-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[2-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[2-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]methyl]pyrrolidin-2-one is CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCC3=O)cs2)CC1.
What is the InChIKey of 1-[[2-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]methyl]pyrrolidin-2-one?
The InChIKey is XERNBNISTSVJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2S/c1-17(2)28-20-7-4-3-6-19(20)25-12-10-24(11-13-25)15-21-23-18(16-29-21)14-26-9-5-8-22(26)27/h3-4,6-7,16-17H,5,8-15H2,1-2H3.
What are the key properties of 1-[[2-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]methyl]pyrrolidin-2-one?
1-[[2-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]methyl]pyrrolidin-2-one has a molecular weight of 414.58 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 10047430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).