N-(3-ethylphenyl)-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide

C17H21N3O2S — CID 4885149

IUPACN-(3-ethylphenyl)-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide
SMILESCCc1cccc(NC(=O)CC2SC(N3CCCC3)=NC2=O)c1
InChIInChI=1S/C17H21N3O2S/c1-2-12-6-5-7-13(10-12)18-15(21)11-14-16(22)19-17(23-14)20-8-3-4-9-20/h5-7,10,14H,2-4,8-9,11H2,1H3,(H,18,21)
InChIKeyHOQIXJIKHHHEBE-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.67
Rot. Bonds4

About N-(3-ethylphenyl)-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide

N-(3-ethylphenyl)-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide (PubChem CID 4885149) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide
PubChem CID4885149
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-(3-ethylphenyl)-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide
SMILESCCc1cccc(NC(=O)CC2SC(N3CCCC3)=NC2=O)c1
InChIInChI=1S/C17H21N3O2S/c1-2-12-6-5-7-13(10-12)18-15(21)11-14-16(22)19-17(23-14)20-8-3-4-9-20/h5-7,10,14H,2-4,8-9,11H2,1H3,(H,18,21)
InChIKeyHOQIXJIKHHHEBE-UHFFFAOYSA-N
XLogP2.67
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-(3-ethylphenyl)-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide (CID 4885149) is N-(3-ethylphenyl)-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-(3-ethylphenyl)-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide is CCc1cccc(NC(=O)CC2SC(N3CCCC3)=NC2=O)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide?
The InChIKey is HOQIXJIKHHHEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-2-12-6-5-7-13(10-12)18-15(21)11-14-16(22)19-17(23-14)20-8-3-4-9-20/h5-7,10,14H,2-4,8-9,11H2,1H3,(H,18,21).
What are the key properties of N-(3-ethylphenyl)-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide?
N-(3-ethylphenyl)-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide has a molecular weight of 331.44 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 4885149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).