1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone

C20H21N3O2S — CID 166248122

IUPAC1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone
SMILESCC1c2cccn2CCN1C(=O)Cc1csc(COc2ccccc2)n1
InChIInChI=1S/C20H21N3O2S/c1-15-18-8-5-9-22(18)10-11-23(15)20(24)12-16-14-26-19(21-16)13-25-17-6-3-2-4-7-17/h2-9,14-15H,10-13H2,1H3
InChIKeyHOWCDVGKDRLXRD-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.67
Rot. Bonds5

About 1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone

1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone (PubChem CID 166248122) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone
PubChem CID166248122
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone
SMILESCC1c2cccn2CCN1C(=O)Cc1csc(COc2ccccc2)n1
InChIInChI=1S/C20H21N3O2S/c1-15-18-8-5-9-22(18)10-11-23(15)20(24)12-16-14-26-19(21-16)13-25-17-6-3-2-4-7-17/h2-9,14-15H,10-13H2,1H3
InChIKeyHOWCDVGKDRLXRD-UHFFFAOYSA-N
XLogP3.67
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylethanone
CID 112500907
2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone
CID 166248105
1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone
CID 110313616
2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 50753784
1-(4-bromo-2,3-dihydroindol-1-yl)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone
CID 171483114
1-(4-methoxy-2,3-dihydroindol-1-yl)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone
CID 171483105
1-(4-benzoylpiperazin-1-yl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 31189065
N-[(2S)-butan-2-yl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 51662756
1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 51535285
N-[2-(4-methylpiperidin-1-yl)propyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110312824
1-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone
CID 94654421
2-(4-fluorophenyl)-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone
CID 47165656

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone (CID 166248122) is 1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone is CC1c2cccn2CCN1C(=O)Cc1csc(COc2ccccc2)n1.
What is the InChIKey of 1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is HOWCDVGKDRLXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-15-18-8-5-9-22(18)10-11-23(15)20(24)12-16-14-26-19(21-16)13-25-17-6-3-2-4-7-17/h2-9,14-15H,10-13H2,1H3.
What are the key properties of 1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone?
1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 367.47 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 166248122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).