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

C16H19N3O2S2 — CID 110221787

IUPACN-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCc1csc(C(Cc2cccs2)NC(=O)CN2CCCC2=O)n1
InChIInChI=1S/C16H19N3O2S2/c1-11-10-23-16(17-11)13(8-12-4-3-7-22-12)18-14(20)9-19-6-2-5-15(19)21/h3-4,7,10,13H,2,5-6,8-9H2,1H3,(H,18,20)
InChIKeyOYOBGDFHINCIGF-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.54
Rot. Bonds6

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

N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 110221787) has the molecular formula C16H19N3O2S2 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID110221787
Molecular FormulaC16H19N3O2S2
Molecular Weight349.48 g/mol
Exact Mass349.09
IUPAC NameN-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCc1csc(C(Cc2cccs2)NC(=O)CN2CCCC2=O)n1
InChIInChI=1S/C16H19N3O2S2/c1-11-10-23-16(17-11)13(8-12-4-3-7-22-12)18-14(20)9-19-6-2-5-15(19)21/h3-4,7,10,13H,2,5-6,8-9H2,1H3,(H,18,20)
InChIKeyOYOBGDFHINCIGF-UHFFFAOYSA-N
XLogP2.54
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide
CID 92571237
2-(3-methyl-6-oxopyridazin-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide
CID 110221794
2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide
CID 92563807
N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]oxane-4-carboxamide
CID 110221796
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide
CID 110221792
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 47143924
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 78887945
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-thiophen-2-ylacetamide
CID 51082883
N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 71940519
2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide
CID 92603142
N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-2-(2-oxopiperidin-1-yl)acetamide
CID 125164936
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 122132392

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]-2-(2-oxopyrrolidin-1-yl)acetamide (CID 110221787) is N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]-2-(2-oxopyrrolidin-1-yl)acetamide is Cc1csc(C(Cc2cccs2)NC(=O)CN2CCCC2=O)n1.
What is the InChIKey of N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is OYOBGDFHINCIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S2/c1-11-10-23-16(17-11)13(8-12-4-3-7-22-12)18-14(20)9-19-6-2-5-15(19)21/h3-4,7,10,13H,2,5-6,8-9H2,1H3,(H,18,20).
What are the key properties of N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 349.48 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 110221787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).