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

C19H20N6O2S — CID 17407662

IUPAC2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
SMILESCC(NC(=O)Cc1csc(N2CCCC2=O)n1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C19H20N6O2S/c1-13(14-4-6-16(7-5-14)25-12-20-11-21-25)22-17(26)9-15-10-28-19(23-15)24-8-2-3-18(24)27/h4-7,10-13H,2-3,8-9H2,1H3,(H,22,26)
InChIKeyBRZGUKCMFWVCLW-UHFFFAOYSA-N
MW396.48 g/mol
LogP2.27
Rot. Bonds6

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

2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide (PubChem CID 17407662) has the molecular formula C19H20N6O2S and a molecular weight of 396.48 g/mol. Its IUPAC name is 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
PubChem CID17407662
Molecular FormulaC19H20N6O2S
Molecular Weight396.48 g/mol
Exact Mass396.14
IUPAC Name2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
SMILESCC(NC(=O)Cc1csc(N2CCCC2=O)n1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C19H20N6O2S/c1-13(14-4-6-16(7-5-14)25-12-20-11-21-25)22-17(26)9-15-10-28-19(23-15)24-8-2-3-18(24)27/h4-7,10-13H,2-3,8-9H2,1H3,(H,22,26)
InChIKeyBRZGUKCMFWVCLW-UHFFFAOYSA-N
XLogP2.27
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 85018583
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 35066620
2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 25490801
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-[1-(3-acetamidophenyl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55585745
N-[(2S)-1-methoxypropan-2-yl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 29354926
2-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 32966489
2-thiophen-3-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 8933948
N-(1-amino-4-methylpentan-2-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 119586884
N-(2,2-dimethylpropyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 75416990
2-naphthalen-1-yl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 7582783
N-[2-(methylamino)propyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 120831687

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide?
The IUPAC name of 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) is 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide is CC(NC(=O)Cc1csc(N2CCCC2=O)n1)c1ccc(-n2cncn2)cc1.
What is the InChIKey of 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide?
The InChIKey is BRZGUKCMFWVCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2S/c1-13(14-4-6-16(7-5-14)25-12-20-11-21-25)22-17(26)9-15-10-28-19(23-15)24-8-2-3-18(24)27/h4-7,10-13H,2-3,8-9H2,1H3,(H,22,26).
What are the key properties of 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide?
2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide has a molecular weight of 396.48 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide is sourced from PubChem (CID 17407662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).