spiro[2H-chromene-3,2'-3H-1,3,4-thiadiazole]-4-one

C10H8N2O2S — CID 168654955

IUPACspiro[2H-chromene-3,2'-3H-1,3,4-thiadiazole]-4-one
SMILESO=C1c2ccccc2OCC12NN=CS2
InChIInChI=1S/C10H8N2O2S/c13-9-7-3-1-2-4-8(7)14-5-10(9)12-11-6-15-10/h1-4,6,12H,5H2
InChIKeyJQUGPROLCRCMHJ-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.24
Rot. Bonds

About spiro[2H-chromene-3,2'-3H-1,3,4-thiadiazole]-4-one

spiro[2H-chromene-3,2'-3H-1,3,4-thiadiazole]-4-one (PubChem CID 168654955) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is spiro[2H-chromene-3,2'-3H-1,3,4-thiadiazole]-4-one.

Molecular Properties

Compound Namespiro[2H-chromene-3,2'-3H-1,3,4-thiadiazole]-4-one
PubChem CID168654955
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Namespiro[2H-chromene-3,2'-3H-1,3,4-thiadiazole]-4-one
SMILESO=C1c2ccccc2OCC12NN=CS2
InChIInChI=1S/C10H8N2O2S/c13-9-7-3-1-2-4-8(7)14-5-10(9)12-11-6-15-10/h1-4,6,12H,5H2
InChIKeyJQUGPROLCRCMHJ-UHFFFAOYSA-N
XLogP1.24
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,3-difluoro-2H-chromen-4-one
CID 156711266
3-methyl-3-sulfanyl-2H-chromen-4-one
CID 174301602
3-(iodomethyl)-3-methyl-2H-chromen-4-one
CID 10590440
(3R,3'S)-3'-ethylspiro[2H-chromene-3,2'-aziridine]-4-one
CID 10987336
(2'S,3R)-2'-phenylspiro[2H-chromene-3,1'-cyclopropane]-4-one
CID 7084615
2-phenylspiro[1,3-dioxane-5,3'-2H-chromene]-4'-one
CID 1478538
(1'S,3R)-4-oxospiro[2H-chromene-3,2'-cyclopropane]-1'-carbonitrile
CID 1478547
(1'R,3S)-4-oxospiro[2H-chromene-3,2'-cyclopropane]-1'-carbonitrile
CID 1478544
(3R)-3-bromo-3-[(R)-bromo-(4-methylphenyl)methyl]-2H-chromen-4-one
CID 7037372
3'-(4-oxo-1',4'-diphenylspiro[2H-chromene-3,5'-4H-pyrazole]-3'-yl)-1',4'-diphenylspiro[2H-chromene-3,5'-4H-pyrazole]-4-one
CID 102399539
1',3',4'-triphenylspiro[2H-chromene-3,5'-4H-pyrazole]-4-one
CID 101174871
2-[3-(trifluoromethyl)phenyl]spiro[1,3-dioxane-5,3'-2H-chromene]-4'-one
CID 1486156

Frequently Asked Questions

What is the IUPAC name of spiro[2H-chromene-3,2'-3H-1,3,4-thiadiazole]-4-one?
The IUPAC name of spiro[2H-chromene-3,2'-3H-1,3,4-thiadiazole]-4-one (CID 168654955) is spiro[2H-chromene-3,2'-3H-1,3,4-thiadiazole]-4-one.
What is the SMILES notation for spiro[2H-chromene-3,2'-3H-1,3,4-thiadiazole]-4-one?
The canonical SMILES for spiro[2H-chromene-3,2'-3H-1,3,4-thiadiazole]-4-one is O=C1c2ccccc2OCC12NN=CS2.
What is the InChIKey of spiro[2H-chromene-3,2'-3H-1,3,4-thiadiazole]-4-one?
The InChIKey is JQUGPROLCRCMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c13-9-7-3-1-2-4-8(7)14-5-10(9)12-11-6-15-10/h1-4,6,12H,5H2.
What are the key properties of spiro[2H-chromene-3,2'-3H-1,3,4-thiadiazole]-4-one?
spiro[2H-chromene-3,2'-3H-1,3,4-thiadiazole]-4-one has a molecular weight of 220.25 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2H-chromene-3,2'-3H-1,3,4-thiadiazole]-4-one is sourced from PubChem (CID 168654955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).