N-[1-(3-acetamidophenyl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide

C19H22N4O3S — CID 55585745

IUPACN-[1-(3-acetamidophenyl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)Cc2csc(N3CCCC3=O)n2)c1
InChIInChI=1S/C19H22N4O3S/c1-12(14-5-3-6-15(9-14)21-13(2)24)20-17(25)10-16-11-27-19(22-16)23-8-4-7-18(23)26/h3,5-6,9,11-12H,4,7-8,10H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyYIURCBKKRAABQO-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.65
Rot. Bonds6

About N-[1-(3-acetamidophenyl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide

N-[1-(3-acetamidophenyl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 55585745) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-[1-(3-acetamidophenyl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(3-acetamidophenyl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID55585745
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-[1-(3-acetamidophenyl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)Cc2csc(N3CCCC3=O)n2)c1
InChIInChI=1S/C19H22N4O3S/c1-12(14-5-3-6-15(9-14)21-13(2)24)20-17(25)10-16-11-27-19(22-16)23-8-4-7-18(23)26/h3,5-6,9,11-12H,4,7-8,10H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyYIURCBKKRAABQO-UHFFFAOYSA-N
XLogP2.65
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 35066620
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 18200304
N-(3-methylsulfonylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 9072651
N-[1-(3-chlorophenyl)propyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55582083
N-[1-(3-acetamidophenyl)ethyl]-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetamide
CID 55581854
2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 17407662
[2-(3-methylanilino)-2-oxoethyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 8667687
N-[(2S)-1-methoxypropan-2-yl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 29354926
2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 51211808
N-(3-amino-4-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119419612
N-(1-amino-4-methylpentan-2-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 119586884
N-(2-methyl-4-propan-2-yloxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55887427

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide (CID 55585745) is N-[1-(3-acetamidophenyl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[1-(3-acetamidophenyl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[1-(3-acetamidophenyl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide is CC(=O)Nc1cccc(C(C)NC(=O)Cc2csc(N3CCCC3=O)n2)c1.
What is the InChIKey of N-[1-(3-acetamidophenyl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is YIURCBKKRAABQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-12(14-5-3-6-15(9-14)21-13(2)24)20-17(25)10-16-11-27-19(22-16)23-8-4-7-18(23)26/h3,5-6,9,11-12H,4,7-8,10H2,1-2H3,(H,20,25)(H,21,24).
What are the key properties of N-[1-(3-acetamidophenyl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
N-[1-(3-acetamidophenyl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 386.48 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidophenyl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 55585745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).