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

C8H10N2OS — CID 123694071

IUPAC1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone
SMILESCC(=O)N1Cc2nc(C)sc2C1
InChIInChI=1S/C8H10N2OS/c1-5-9-7-3-10(6(2)11)4-8(7)12-5/h3-4H2,1-2H3
InChIKeyLHSKJVDWAQUZCI-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.31
Rot. Bonds

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

1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone (PubChem CID 123694071) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone
PubChem CID123694071
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone
SMILESCC(=O)N1Cc2nc(C)sc2C1
InChIInChI=1S/C8H10N2OS/c1-5-9-7-3-10(6(2)11)4-8(7)12-5/h3-4H2,1-2H3
InChIKeyLHSKJVDWAQUZCI-UHFFFAOYSA-N
XLogP1.31
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone?
The IUPAC name of 1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone (CID 123694071) is 1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone?
The canonical SMILES for 1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone is CC(=O)N1Cc2nc(C)sc2C1.
What is the InChIKey of 1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone?
The InChIKey is LHSKJVDWAQUZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-5-9-7-3-10(6(2)11)4-8(7)12-5/h3-4H2,1-2H3.
What are the key properties of 1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone?
1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone has a molecular weight of 182.25 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone is sourced from PubChem (CID 123694071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).