1-(2,5-dichlorothiophen-3-yl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone

C9H5Cl2NO2S2 — CID 106923930

IUPAC1-(2,5-dichlorothiophen-3-yl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone
SMILESO=C(CSc1ncco1)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H5Cl2NO2S2/c10-7-3-5(8(11)16-7)6(13)4-15-9-12-1-2-14-9/h1-3H,4H2
InChIKeyDCLXDEXVACRRFG-UHFFFAOYSA-N
MW294.18 g/mol
LogP4.02
Rot. Bonds4

About 1-(2,5-dichlorothiophen-3-yl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone

1-(2,5-dichlorothiophen-3-yl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone (PubChem CID 106923930) has the molecular formula C9H5Cl2NO2S2 and a molecular weight of 294.18 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone
PubChem CID106923930
Molecular FormulaC9H5Cl2NO2S2
Molecular Weight294.18 g/mol
Exact Mass292.91
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone
SMILESO=C(CSc1ncco1)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H5Cl2NO2S2/c10-7-3-5(8(11)16-7)6(13)4-15-9-12-1-2-14-9/h1-3H,4H2
InChIKeyDCLXDEXVACRRFG-UHFFFAOYSA-N
XLogP4.02
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone (CID 106923930) is 1-(2,5-dichlorothiophen-3-yl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone is O=C(CSc1ncco1)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone?
The InChIKey is DCLXDEXVACRRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2NO2S2/c10-7-3-5(8(11)16-7)6(13)4-15-9-12-1-2-14-9/h1-3H,4H2.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone?
1-(2,5-dichlorothiophen-3-yl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone has a molecular weight of 294.18 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone is sourced from PubChem (CID 106923930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).