2-(2-oxopyrrolidin-1-yl)-N-[4-propan-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]acetamide

C17H26N4O2S — CID 156605526

IUPAC2-(2-oxopyrrolidin-1-yl)-N-[4-propan-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]acetamide
SMILESCC(C)C1CN(Cc2cscn2)CC1NC(=O)CN1CCCC1=O
InChIInChI=1S/C17H26N4O2S/c1-12(2)14-7-20(6-13-10-24-11-18-13)8-15(14)19-16(22)9-21-5-3-4-17(21)23/h10-12,14-15H,3-9H2,1-2H3,(H,19,22)
InChIKeySRDYDVNGMDUIPT-UHFFFAOYSA-N
MW350.49 g/mol
LogP1.34
Rot. Bonds6

About 2-(2-oxopyrrolidin-1-yl)-N-[4-propan-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]acetamide

2-(2-oxopyrrolidin-1-yl)-N-[4-propan-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]acetamide (PubChem CID 156605526) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is 2-(2-oxopyrrolidin-1-yl)-N-[4-propan-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-oxopyrrolidin-1-yl)-N-[4-propan-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]acetamide
PubChem CID156605526
Molecular FormulaC17H26N4O2S
Molecular Weight350.49 g/mol
Exact Mass350.18
IUPAC Name2-(2-oxopyrrolidin-1-yl)-N-[4-propan-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]acetamide
SMILESCC(C)C1CN(Cc2cscn2)CC1NC(=O)CN1CCCC1=O
InChIInChI=1S/C17H26N4O2S/c1-12(2)14-7-20(6-13-10-24-11-18-13)8-15(14)19-16(22)9-21-5-3-4-17(21)23/h10-12,14-15H,3-9H2,1-2H3,(H,19,22)
InChIKeySRDYDVNGMDUIPT-UHFFFAOYSA-N
XLogP1.34
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-oxopyrrolidin-1-yl)-N-[(3S,4R)-4-propan-2-yl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-yl]acetamide
CID 133110398
2-(2-oxopyrrolidin-1-yl)-N-[(3S,4R)-4-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-yl]acetamide
CID 133132152
N-[(3S,4R)-1-(2-aminopyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 133116687
N-[(3R,4S)-1-(1H-imidazol-5-ylmethyl)-4-propylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 72889125
N-[4-propan-2-yl-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]acetamide
CID 156606607
N-cyclooctyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 39954322
1-(methoxymethyl)-N-[(3S,4R)-4-propyl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide
CID 133138149
N-[(1R,2R)-2-aminocyclohexyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 93451570
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoazepan-1-yl)acetamide
CID 55527354
2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-N-propan-2-ylacetamide
CID 3050861
N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxoazepan-1-yl)acetamide
CID 104956817
N-[[1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 63830989

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrrolidin-1-yl)-N-[4-propan-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(2-oxopyrrolidin-1-yl)-N-[4-propan-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]acetamide (CID 156605526) is 2-(2-oxopyrrolidin-1-yl)-N-[4-propan-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(2-oxopyrrolidin-1-yl)-N-[4-propan-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(2-oxopyrrolidin-1-yl)-N-[4-propan-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]acetamide is CC(C)C1CN(Cc2cscn2)CC1NC(=O)CN1CCCC1=O.
What is the InChIKey of 2-(2-oxopyrrolidin-1-yl)-N-[4-propan-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]acetamide?
The InChIKey is SRDYDVNGMDUIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S/c1-12(2)14-7-20(6-13-10-24-11-18-13)8-15(14)19-16(22)9-21-5-3-4-17(21)23/h10-12,14-15H,3-9H2,1-2H3,(H,19,22).
What are the key properties of 2-(2-oxopyrrolidin-1-yl)-N-[4-propan-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]acetamide?
2-(2-oxopyrrolidin-1-yl)-N-[4-propan-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]acetamide has a molecular weight of 350.49 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrrolidin-1-yl)-N-[4-propan-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 156605526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).