1-methyl-1-oxofuro[3,2-d][1,2]thiazol-3-one

C6H5NO3S — CID 166042446

IUPAC1-methyl-1-oxofuro[3,2-d][1,2]thiazol-3-one
SMILESCS1(=O)=NC(=O)c2ccoc21
InChIInChI=1S/C6H5NO3S/c1-11(9)6-4(2-3-10-6)5(8)7-11/h2-3H,1H3
InChIKeyYUMCZCMYKMWJFC-UHFFFAOYSA-N
MW171.18 g/mol
LogP0.89
Rot. Bonds

About 1-methyl-1-oxofuro[3,2-d][1,2]thiazol-3-one

1-methyl-1-oxofuro[3,2-d][1,2]thiazol-3-one (PubChem CID 166042446) has the molecular formula C6H5NO3S and a molecular weight of 171.18 g/mol. Its IUPAC name is 1-methyl-1-oxofuro[3,2-d][1,2]thiazol-3-one.

Molecular Properties

Compound Name1-methyl-1-oxofuro[3,2-d][1,2]thiazol-3-one
PubChem CID166042446
Molecular FormulaC6H5NO3S
Molecular Weight171.18 g/mol
Exact Mass171.00
IUPAC Name1-methyl-1-oxofuro[3,2-d][1,2]thiazol-3-one
SMILESCS1(=O)=NC(=O)c2ccoc21
InChIInChI=1S/C6H5NO3S/c1-11(9)6-4(2-3-10-6)5(8)7-11/h2-3H,1H3
InChIKeyYUMCZCMYKMWJFC-UHFFFAOYSA-N
XLogP0.89
TPSA59.64 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.18
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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3-bromo-7-trimethylsilylfuro[2,3-c]pyran-2-one
CID 24879421
benzo[g][1]benzofuran-4,5-dione
CID 598522
4,8-dimethylfuro[2,3-f][1]benzofuran
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6,7-dihydro-5H-1-benzofuran-4-one;ethane
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7H-furo[3,2-c]pyridine-4,6-dione
CID 55283626
5-methoxy-4,9-dioxobenzo[f][1]benzofuran-8-carbaldehyde
CID 10491256
8-methyl-5,5-dioxo-4H-[1]benzothiepino[4,3-b]furan-10-one
CID 20642525
5-ethyl-7,8-dihydrofuro[2,3-e][1,3]diazepine-4,6-dione
CID 102501631
4-methoxyfuro[2,3-b]chromen-7-one
CID 132531398
3,4-dimethylpyran-2-one
CID 13348275
5,6-dihydrofuro[2,3-b]pyrrol-4-one
CID 96637935

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-oxofuro[3,2-d][1,2]thiazol-3-one?
The IUPAC name of 1-methyl-1-oxofuro[3,2-d][1,2]thiazol-3-one (CID 166042446) is 1-methyl-1-oxofuro[3,2-d][1,2]thiazol-3-one.
What is the SMILES notation for 1-methyl-1-oxofuro[3,2-d][1,2]thiazol-3-one?
The canonical SMILES for 1-methyl-1-oxofuro[3,2-d][1,2]thiazol-3-one is CS1(=O)=NC(=O)c2ccoc21.
What is the InChIKey of 1-methyl-1-oxofuro[3,2-d][1,2]thiazol-3-one?
The InChIKey is YUMCZCMYKMWJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO3S/c1-11(9)6-4(2-3-10-6)5(8)7-11/h2-3H,1H3.
What are the key properties of 1-methyl-1-oxofuro[3,2-d][1,2]thiazol-3-one?
1-methyl-1-oxofuro[3,2-d][1,2]thiazol-3-one has a molecular weight of 171.18 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-oxofuro[3,2-d][1,2]thiazol-3-one is sourced from PubChem (CID 166042446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).