1-(2,4-dichloro-1,3-thiazol-5-yl)ethanone;ethane

C7H9Cl2NOS — CID 164604747

IUPAC1-(2,4-dichloro-1,3-thiazol-5-yl)ethanone;ethane
SMILESCC.CC(=O)c1sc(Cl)nc1Cl
InChIInChI=1S/C5H3Cl2NOS.C2H6/c1-2(9)3-4(6)8-5(7)10-3;1-2/h1H3;1-2H3
InChIKeyUYORNYJOBDVPSE-UHFFFAOYSA-N
MW226.13 g/mol
LogP3.68
Rot. Bonds1

About 1-(2,4-dichloro-1,3-thiazol-5-yl)ethanone;ethane

1-(2,4-dichloro-1,3-thiazol-5-yl)ethanone;ethane (PubChem CID 164604747) has the molecular formula C7H9Cl2NOS and a molecular weight of 226.13 g/mol. Its IUPAC name is 1-(2,4-dichloro-1,3-thiazol-5-yl)ethanone;ethane.

Molecular Properties

Compound Name1-(2,4-dichloro-1,3-thiazol-5-yl)ethanone;ethane
PubChem CID164604747
Molecular FormulaC7H9Cl2NOS
Molecular Weight226.13 g/mol
Exact Mass224.98
IUPAC Name1-(2,4-dichloro-1,3-thiazol-5-yl)ethanone;ethane
SMILESCC.CC(=O)c1sc(Cl)nc1Cl
InChIInChI=1S/C5H3Cl2NOS.C2H6/c1-2(9)3-4(6)8-5(7)10-3;1-2/h1H3;1-2H3
InChIKeyUYORNYJOBDVPSE-UHFFFAOYSA-N
XLogP3.68
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.13
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-1,3-thiazol-5-yl)ethanone;ethane?
The IUPAC name of 1-(2,4-dichloro-1,3-thiazol-5-yl)ethanone;ethane (CID 164604747) is 1-(2,4-dichloro-1,3-thiazol-5-yl)ethanone;ethane.
What is the SMILES notation for 1-(2,4-dichloro-1,3-thiazol-5-yl)ethanone;ethane?
The canonical SMILES for 1-(2,4-dichloro-1,3-thiazol-5-yl)ethanone;ethane is CC.CC(=O)c1sc(Cl)nc1Cl.
What is the InChIKey of 1-(2,4-dichloro-1,3-thiazol-5-yl)ethanone;ethane?
The InChIKey is UYORNYJOBDVPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl2NOS.C2H6/c1-2(9)3-4(6)8-5(7)10-3;1-2/h1H3;1-2H3.
What are the key properties of 1-(2,4-dichloro-1,3-thiazol-5-yl)ethanone;ethane?
1-(2,4-dichloro-1,3-thiazol-5-yl)ethanone;ethane has a molecular weight of 226.13 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-1,3-thiazol-5-yl)ethanone;ethane is sourced from PubChem (CID 164604747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).