2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide

C20H26N4O2S — CID 45204018

IUPAC2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCC(C)c1nc(CNC(=O)CC2C(=O)NCCN2Cc2ccccc2)cs1
InChIInChI=1S/C20H26N4O2S/c1-14(2)20-23-16(13-27-20)11-22-18(25)10-17-19(26)21-8-9-24(17)12-15-6-4-3-5-7-15/h3-7,13-14,17H,8-12H2,1-2H3,(H,21,26)(H,22,25)
InChIKeyZGYGMHILBMKOIU-UHFFFAOYSA-N
MW386.52 g/mol
LogP2.27
Rot. Bonds7

About 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide

2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 45204018) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID45204018
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC Name2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCC(C)c1nc(CNC(=O)CC2C(=O)NCCN2Cc2ccccc2)cs1
InChIInChI=1S/C20H26N4O2S/c1-14(2)20-23-16(13-27-20)11-22-18(25)10-17-19(26)21-8-9-24(17)12-15-6-4-3-5-7-15/h3-7,13-14,17H,8-12H2,1-2H3,(H,21,26)(H,22,25)
InChIKeyZGYGMHILBMKOIU-UHFFFAOYSA-N
XLogP2.27
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide (CID 45204018) is 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide is CC(C)c1nc(CNC(=O)CC2C(=O)NCCN2Cc2ccccc2)cs1.
What is the InChIKey of 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is ZGYGMHILBMKOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-14(2)20-23-16(13-27-20)11-22-18(25)10-17-19(26)21-8-9-24(17)12-15-6-4-3-5-7-15/h3-7,13-14,17H,8-12H2,1-2H3,(H,21,26)(H,22,25).
What are the key properties of 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 386.52 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 45204018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).