1-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-(2-methoxyphenoxy)ethanone

C14H15N3O3S — CID 82194170

IUPAC1-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-(2-methoxyphenoxy)ethanone
SMILESCOc1ccccc1OCC(=O)N1Cc2nc(N)sc2C1
InChIInChI=1S/C14H15N3O3S/c1-19-10-4-2-3-5-11(10)20-8-13(18)17-6-9-12(7-17)21-14(15)16-9/h2-5H,6-8H2,1H3,(H2,15,16)
InChIKeyCDAUGBVHVDLFCW-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.66
Rot. Bonds4

About 1-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-(2-methoxyphenoxy)ethanone

1-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-(2-methoxyphenoxy)ethanone (PubChem CID 82194170) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 1-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-(2-methoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-(2-methoxyphenoxy)ethanone
PubChem CID82194170
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name1-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-(2-methoxyphenoxy)ethanone
SMILESCOc1ccccc1OCC(=O)N1Cc2nc(N)sc2C1
InChIInChI=1S/C14H15N3O3S/c1-19-10-4-2-3-5-11(10)20-8-13(18)17-6-9-12(7-17)21-14(15)16-9/h2-5H,6-8H2,1H3,(H2,15,16)
InChIKeyCDAUGBVHVDLFCW-UHFFFAOYSA-N
XLogP1.66
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[2-(2-methoxyphenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
CID 90528380
2-(2-methoxyphenoxy)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 31246055
4-[2-(2-methoxyphenoxy)acetyl]piperazine-1-carbothioamide
CID 2050365
2-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]-2-oxoacetic acid
CID 2050367
2-(2-methoxyphenoxy)-1-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanone
CID 110867093
1-[4-[2-(2-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 108546426
2-(2-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 823385
1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-3-phenoxypropan-1-one
CID 28505312
(1S,5R)-3-[2-(2-methoxyphenoxy)acetyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
CID 135113397
2,2,2-trifluoro-1-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108533450
2-(4-ethoxyphenoxy)-1-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108536870
2-(2-methoxyphenoxy)-1-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]ethanone
CID 113078931

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-(2-methoxyphenoxy)ethanone?
The IUPAC name of 1-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-(2-methoxyphenoxy)ethanone (CID 82194170) is 1-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-(2-methoxyphenoxy)ethanone.
What is the SMILES notation for 1-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-(2-methoxyphenoxy)ethanone?
The canonical SMILES for 1-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-(2-methoxyphenoxy)ethanone is COc1ccccc1OCC(=O)N1Cc2nc(N)sc2C1.
What is the InChIKey of 1-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-(2-methoxyphenoxy)ethanone?
The InChIKey is CDAUGBVHVDLFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-19-10-4-2-3-5-11(10)20-8-13(18)17-6-9-12(7-17)21-14(15)16-9/h2-5H,6-8H2,1H3,(H2,15,16).
What are the key properties of 1-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-(2-methoxyphenoxy)ethanone?
1-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-(2-methoxyphenoxy)ethanone has a molecular weight of 305.36 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-(2-methoxyphenoxy)ethanone is sourced from PubChem (CID 82194170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).