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

C17H28N4O2S — CID 124854636

IUPAC2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESCC(C)c1nc(CCNC(=O)C[C@H]2C(=O)NCCN2C(C)C)cs1
InChIInChI=1S/C17H28N4O2S/c1-11(2)17-20-13(10-24-17)5-6-18-15(22)9-14-16(23)19-7-8-21(14)12(3)4/h10-12,14H,5-9H2,1-4H3,(H,18,22)(H,19,23)/t14-/m0/s1
InChIKeyXPTFSYOZIQTEIV-AWEZNQCLSA-N
MW352.50 g/mol
LogP1.52
Rot. Bonds7

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

2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide (PubChem CID 124854636) has the molecular formula C17H28N4O2S and a molecular weight of 352.50 g/mol. Its IUPAC name is 2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
PubChem CID124854636
Molecular FormulaC17H28N4O2S
Molecular Weight352.50 g/mol
Exact Mass352.19
IUPAC Name2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESCC(C)c1nc(CCNC(=O)C[C@H]2C(=O)NCCN2C(C)C)cs1
InChIInChI=1S/C17H28N4O2S/c1-11(2)17-20-13(10-24-17)5-6-18-15(22)9-14-16(23)19-7-8-21(14)12(3)4/h10-12,14H,5-9H2,1-4H3,(H,18,22)(H,19,23)/t14-/m0/s1
InChIKeyXPTFSYOZIQTEIV-AWEZNQCLSA-N
XLogP1.52
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 95132319
2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 25381744
2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 90651920
N-[2-(2-methoxynaphthalen-1-yl)ethyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 95132204
2-amino-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
CID 119869470
cis-(1R,2S)-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125132098
2-[1-[(2-chloro-4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 24793110
N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 95126653
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(2S)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide
CID 95706948
2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]acetamide
CID 50973484
2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 137098586
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 124854641

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide (CID 124854636) is 2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide is CC(C)c1nc(CCNC(=O)C[C@H]2C(=O)NCCN2C(C)C)cs1.
What is the InChIKey of 2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide?
The InChIKey is XPTFSYOZIQTEIV-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H28N4O2S/c1-11(2)17-20-13(10-24-17)5-6-18-15(22)9-14-16(23)19-7-8-21(14)12(3)4/h10-12,14H,5-9H2,1-4H3,(H,18,22)(H,19,23)/t14-/m0/s1.
What are the key properties of 2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide?
2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide has a molecular weight of 352.50 g/mol, XLogP of 1.52, 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-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 124854636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).