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

C17H22N6O2S — CID 95132319

IUPAC2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCC(C)N1CCNC(=O)[C@@H]1CC(=O)NCc1csc(-c2ncccn2)n1
InChIInChI=1S/C17H22N6O2S/c1-11(2)23-7-6-20-16(25)13(23)8-14(24)21-9-12-10-26-17(22-12)15-18-4-3-5-19-15/h3-5,10-11,13H,6-9H2,1-2H3,(H,20,25)(H,21,24)/t13-/m0/s1
InChIKeyCVIOAEIDSMWTFI-ZDUSSCGKSA-N
MW374.47 g/mol
LogP0.82
Rot. Bonds6

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

2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 95132319) has the molecular formula C17H22N6O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is 2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID95132319
Molecular FormulaC17H22N6O2S
Molecular Weight374.47 g/mol
Exact Mass374.15
IUPAC Name2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCC(C)N1CCNC(=O)[C@@H]1CC(=O)NCc1csc(-c2ncccn2)n1
InChIInChI=1S/C17H22N6O2S/c1-11(2)23-7-6-20-16(25)13(23)8-14(24)21-9-12-10-26-17(22-12)15-18-4-3-5-19-15/h3-5,10-11,13H,6-9H2,1-2H3,(H,20,25)(H,21,24)/t13-/m0/s1
InChIKeyCVIOAEIDSMWTFI-ZDUSSCGKSA-N
XLogP0.82
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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
N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 95126653
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 125174351
2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 137098586
2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]acetamide
CID 50973484
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
CID 50959250
2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 25381744
N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
CID 135118006
2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 56896917
2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 90651920
2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 45193505

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of 2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]acetamide (CID 95132319) is 2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]acetamide is CC(C)N1CCNC(=O)[C@@H]1CC(=O)NCc1csc(-c2ncccn2)n1.
What is the InChIKey of 2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is CVIOAEIDSMWTFI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N6O2S/c1-11(2)23-7-6-20-16(25)13(23)8-14(24)21-9-12-10-26-17(22-12)15-18-4-3-5-19-15/h3-5,10-11,13H,6-9H2,1-2H3,(H,20,25)(H,21,24)/t13-/m0/s1.
What are the key properties of 2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 374.47 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 95132319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).