6,7-dihydropyrano[3,4-d][1,3]thiazol-4-one

C6H5NO2S — CID 580399

IUPAC6,7-dihydropyrano[3,4-d][1,3]thiazol-4-one
SMILESO=C1OCCc2scnc21
InChIInChI=1S/C6H5NO2S/c8-6-5-4(1-2-9-6)10-3-7-5/h3H,1-2H2
InChIKeyQWZGGRUIMAEPHN-UHFFFAOYSA-N
MW155.18 g/mol
LogP0.86
Rot. Bonds

About 6,7-dihydropyrano[3,4-d][1,3]thiazol-4-one

6,7-dihydropyrano[3,4-d][1,3]thiazol-4-one (PubChem CID 580399) has the molecular formula C6H5NO2S and a molecular weight of 155.18 g/mol. Its IUPAC name is 6,7-dihydropyrano[3,4-d][1,3]thiazol-4-one.

Molecular Properties

Compound Name6,7-dihydropyrano[3,4-d][1,3]thiazol-4-one
PubChem CID580399
Molecular FormulaC6H5NO2S
Molecular Weight155.18 g/mol
Exact Mass155.00
IUPAC Name6,7-dihydropyrano[3,4-d][1,3]thiazol-4-one
SMILESO=C1OCCc2scnc21
InChIInChI=1S/C6H5NO2S/c8-6-5-4(1-2-9-6)10-3-7-5/h3H,1-2H2
InChIKeyQWZGGRUIMAEPHN-UHFFFAOYSA-N
XLogP0.86
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.18
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydropyrano[3,4-d][1,3]thiazol-4-one?
The IUPAC name of 6,7-dihydropyrano[3,4-d][1,3]thiazol-4-one (CID 580399) is 6,7-dihydropyrano[3,4-d][1,3]thiazol-4-one.
What is the SMILES notation for 6,7-dihydropyrano[3,4-d][1,3]thiazol-4-one?
The canonical SMILES for 6,7-dihydropyrano[3,4-d][1,3]thiazol-4-one is O=C1OCCc2scnc21.
What is the InChIKey of 6,7-dihydropyrano[3,4-d][1,3]thiazol-4-one?
The InChIKey is QWZGGRUIMAEPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2S/c8-6-5-4(1-2-9-6)10-3-7-5/h3H,1-2H2.
What are the key properties of 6,7-dihydropyrano[3,4-d][1,3]thiazol-4-one?
6,7-dihydropyrano[3,4-d][1,3]thiazol-4-one has a molecular weight of 155.18 g/mol, XLogP of 0.86, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydropyrano[3,4-d][1,3]thiazol-4-one is sourced from PubChem (CID 580399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).