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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-dichlorothiophen-3-yl)-2-pyridin-2-ylsulfanylethanone
CID 2805500
1-(3-chlorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone
CID 106924013
2-(1,3-oxazol-2-ylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanone
CID 106924031
1-(3,4-dimethylphenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone
CID 106923942
2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-1,3-oxazole
CID 106921258
1-(3-methylphenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone
CID 106923946
1-(3-fluoro-4-methoxyphenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone
CID 106923949
2-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one
CID 27241325
1-(1,3-oxazol-2-ylsulfanyl)hexan-2-one
CID 170076713
1-(2,5-dichlorothiophen-3-yl)-2-(2-methoxyethylsulfanyl)ethanone
CID 43801651
1-(2,5-dichlorothiophen-3-yl)-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 24505556
1-(2,5-dichlorothiophen-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 107967875

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).