2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

C17H27N5O2S — CID 78881717

IUPAC2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESCc1csc(N2CCN(CC(=O)NCCCN3CCCC3=O)CC2)n1
InChIInChI=1S/C17H27N5O2S/c1-14-13-25-17(19-14)22-10-8-20(9-11-22)12-15(23)18-5-3-7-21-6-2-4-16(21)24/h13H,2-12H2,1H3,(H,18,23)
InChIKeyVJXYRHWUQOEZQV-UHFFFAOYSA-N
MW365.50 g/mol
LogP0.70
Rot. Bonds7

About 2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (PubChem CID 78881717) has the molecular formula C17H27N5O2S and a molecular weight of 365.50 g/mol. Its IUPAC name is 2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
PubChem CID78881717
Molecular FormulaC17H27N5O2S
Molecular Weight365.50 g/mol
Exact Mass365.19
IUPAC Name2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESCc1csc(N2CCN(CC(=O)NCCCN3CCCC3=O)CC2)n1
InChIInChI=1S/C17H27N5O2S/c1-14-13-25-17(19-14)22-10-8-20(9-11-22)12-15(23)18-5-3-7-21-6-2-4-16(21)24/h13H,2-12H2,1H3,(H,18,23)
InChIKeyVJXYRHWUQOEZQV-UHFFFAOYSA-N
XLogP0.70
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-N-propylacetamide
CID 47073428
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 9130268
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 72894736
2-(2-oxopiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86984731
N-carbamoyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetamide
CID 47073429
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 47143924
2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60504165
1-[3-[(3R)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 98761301
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86923478
2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 20968345
N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 123515256
dimethyl-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-tetradecylazanium
CID 121391981

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The IUPAC name of 2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (CID 78881717) is 2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is Cc1csc(N2CCN(CC(=O)NCCCN3CCCC3=O)CC2)n1.
What is the InChIKey of 2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The InChIKey is VJXYRHWUQOEZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2S/c1-14-13-25-17(19-14)22-10-8-20(9-11-22)12-15(23)18-5-3-7-21-6-2-4-16(21)24/h13H,2-12H2,1H3,(H,18,23).
What are the key properties of 2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide has a molecular weight of 365.50 g/mol, XLogP of 0.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is sourced from PubChem (CID 78881717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).