1-[2-(3,5-dichloro-2-pyridinyl)-1,3-thiazol-4-yl]ethanone

C10H6Cl2N2OS — CID 79780905

IUPAC1-[2-(3,5-dichloro-2-pyridinyl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(-c2ncc(Cl)cc2Cl)n1
InChIInChI=1S/C10H6Cl2N2OS/c1-5(15)8-4-16-10(14-8)9-7(12)2-6(11)3-13-9/h2-4H,1H3
InChIKeyLLFCOVRLNGOFRB-UHFFFAOYSA-N
MW273.14 g/mol
LogP3.71
Rot. Bonds2

About 1-[2-(3,5-dichloro-2-pyridinyl)-1,3-thiazol-4-yl]ethanone

1-[2-(3,5-dichloro-2-pyridinyl)-1,3-thiazol-4-yl]ethanone (PubChem CID 79780905) has the molecular formula C10H6Cl2N2OS and a molecular weight of 273.14 g/mol. Its IUPAC name is 1-[2-(3,5-dichloro-2-pyridinyl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(3,5-dichloro-2-pyridinyl)-1,3-thiazol-4-yl]ethanone
PubChem CID79780905
Molecular FormulaC10H6Cl2N2OS
Molecular Weight273.14 g/mol
Exact Mass271.96
IUPAC Name1-[2-(3,5-dichloro-2-pyridinyl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(-c2ncc(Cl)cc2Cl)n1
InChIInChI=1S/C10H6Cl2N2OS/c1-5(15)8-4-16-10(14-8)9-7(12)2-6(11)3-13-9/h2-4H,1H3
InChIKeyLLFCOVRLNGOFRB-UHFFFAOYSA-N
XLogP3.71
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.14
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dichloro-2-pyridinyl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-(3,5-dichloro-2-pyridinyl)-1,3-thiazol-4-yl]ethanone (CID 79780905) is 1-[2-(3,5-dichloro-2-pyridinyl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(3,5-dichloro-2-pyridinyl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(3,5-dichloro-2-pyridinyl)-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc(-c2ncc(Cl)cc2Cl)n1.
What is the InChIKey of 1-[2-(3,5-dichloro-2-pyridinyl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is LLFCOVRLNGOFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2OS/c1-5(15)8-4-16-10(14-8)9-7(12)2-6(11)3-13-9/h2-4H,1H3.
What are the key properties of 1-[2-(3,5-dichloro-2-pyridinyl)-1,3-thiazol-4-yl]ethanone?
1-[2-(3,5-dichloro-2-pyridinyl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 273.14 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dichloro-2-pyridinyl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 79780905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).