2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide

C20H26N4O2S — CID 25381744

IUPAC2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESCC(C)N1CCNC(=O)[C@@H]1CC(=O)NCCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C20H26N4O2S/c1-14(2)24-11-10-22-20(26)17(24)12-18(25)21-9-8-19-23-16(13-27-19)15-6-4-3-5-7-15/h3-7,13-14,17H,8-12H2,1-2H3,(H,21,25)(H,22,26)/t17-/m0/s1
InChIKeyFEPADUVZIYIRLE-KRWDZBQOSA-N
MW386.52 g/mol
LogP2.07
Rot. Bonds7

About 2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide

2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide (PubChem CID 25381744) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is 2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
PubChem CID25381744
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC Name2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESCC(C)N1CCNC(=O)[C@@H]1CC(=O)NCCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C20H26N4O2S/c1-14(2)24-11-10-22-20(26)17(24)12-18(25)21-9-8-19-23-16(13-27-19)15-6-4-3-5-7-15/h3-7,13-14,17H,8-12H2,1-2H3,(H,21,25)(H,22,26)/t17-/m0/s1
InChIKeyFEPADUVZIYIRLE-KRWDZBQOSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[(2,6-dimethoxyphenyl)methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 42241907
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide (CID 25381744) is 2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide is CC(C)N1CCNC(=O)[C@@H]1CC(=O)NCCc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide?
The InChIKey is FEPADUVZIYIRLE-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-14(2)24-11-10-22-20(26)17(24)12-18(25)21-9-8-19-23-16(13-27-19)15-6-4-3-5-7-15/h3-7,13-14,17H,8-12H2,1-2H3,(H,21,25)(H,22,26)/t17-/m0/s1.
What are the key properties of 2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide?
2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide has a molecular weight of 386.52 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 25381744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).