2-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide

C15H17N3O2S2 — CID 92571237

IUPAC2-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide
SMILESO=C(CN1CCCC1=O)N[C@H](Cc1cccs1)c1nccs1
InChIInChI=1S/C15H17N3O2S2/c19-13(10-18-6-1-4-14(18)20)17-12(15-16-5-8-22-15)9-11-3-2-7-21-11/h2-3,5,7-8,12H,1,4,6,9-10H2,(H,17,19)/t12-/m1/s1
InChIKeyPZCYEBCCKQSPSU-GFCCVEGCSA-N
MW335.45 g/mol
LogP2.23
Rot. Bonds6

About 2-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide

2-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide (PubChem CID 92571237) has the molecular formula C15H17N3O2S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide
PubChem CID92571237
Molecular FormulaC15H17N3O2S2
Molecular Weight335.45 g/mol
Exact Mass335.08
IUPAC Name2-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide
SMILESO=C(CN1CCCC1=O)N[C@H](Cc1cccs1)c1nccs1
InChIInChI=1S/C15H17N3O2S2/c19-13(10-18-6-1-4-14(18)20)17-12(15-16-5-8-22-15)9-11-3-2-7-21-11/h2-3,5,7-8,12H,1,4,6,9-10H2,(H,17,19)/t12-/m1/s1
InChIKeyPZCYEBCCKQSPSU-GFCCVEGCSA-N
XLogP2.23
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 110221787
2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide
CID 92603142
N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]pyridine-4-carboxamide
CID 110221724
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-thiophen-2-ylacetamide
CID 51082883
5-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]pyrazine-2-carboxamide
CID 92563065
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 78887945
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 122132392
2-(4-sulfamoylphenoxy)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide
CID 110221751
1-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea
CID 95314566
N-[phenyl(1,3-thiazol-2-yl)methyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 56541220
2-(3-methyl-6-oxopyridazin-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide
CID 110221794
1-[2-[1-(1,3-thiazol-2-yl)ethylamino]propyl]pyrrolidin-2-one
CID 64992946

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide (CID 92571237) is 2-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide is O=C(CN1CCCC1=O)N[C@H](Cc1cccs1)c1nccs1.
What is the InChIKey of 2-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide?
The InChIKey is PZCYEBCCKQSPSU-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17N3O2S2/c19-13(10-18-6-1-4-14(18)20)17-12(15-16-5-8-22-15)9-11-3-2-7-21-11/h2-3,5,7-8,12H,1,4,6,9-10H2,(H,17,19)/t12-/m1/s1.
What are the key properties of 2-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide?
2-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide has a molecular weight of 335.45 g/mol, XLogP of 2.23, 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-[(1R)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 92571237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).