1-[2-(2,3-dichloroanilino)-1,3-thiazol-5-yl]ethanone

C11H8Cl2N2OS — CID 3771946

IUPAC1-[2-(2,3-dichloroanilino)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(Nc2cccc(Cl)c2Cl)s1
InChIInChI=1S/C11H8Cl2N2OS/c1-6(16)9-5-14-11(17-9)15-8-4-2-3-7(12)10(8)13/h2-5H,1H3,(H,14,15)
InChIKeyICKHJQWJZABRFH-UHFFFAOYSA-N
MW287.17 g/mol
LogP4.40
Rot. Bonds3

About 1-[2-(2,3-dichloroanilino)-1,3-thiazol-5-yl]ethanone

1-[2-(2,3-dichloroanilino)-1,3-thiazol-5-yl]ethanone (PubChem CID 3771946) has the molecular formula C11H8Cl2N2OS and a molecular weight of 287.17 g/mol. Its IUPAC name is 1-[2-(2,3-dichloroanilino)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2,3-dichloroanilino)-1,3-thiazol-5-yl]ethanone
PubChem CID3771946
Molecular FormulaC11H8Cl2N2OS
Molecular Weight287.17 g/mol
Exact Mass285.97
IUPAC Name1-[2-(2,3-dichloroanilino)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(Nc2cccc(Cl)c2Cl)s1
InChIInChI=1S/C11H8Cl2N2OS/c1-6(16)9-5-14-11(17-9)15-8-4-2-3-7(12)10(8)13/h2-5H,1H3,(H,14,15)
InChIKeyICKHJQWJZABRFH-UHFFFAOYSA-N
XLogP4.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.17
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dichloroanilino)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(2,3-dichloroanilino)-1,3-thiazol-5-yl]ethanone (CID 3771946) is 1-[2-(2,3-dichloroanilino)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(2,3-dichloroanilino)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(2,3-dichloroanilino)-1,3-thiazol-5-yl]ethanone is CC(=O)c1cnc(Nc2cccc(Cl)c2Cl)s1.
What is the InChIKey of 1-[2-(2,3-dichloroanilino)-1,3-thiazol-5-yl]ethanone?
The InChIKey is ICKHJQWJZABRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2OS/c1-6(16)9-5-14-11(17-9)15-8-4-2-3-7(12)10(8)13/h2-5H,1H3,(H,14,15).
What are the key properties of 1-[2-(2,3-dichloroanilino)-1,3-thiazol-5-yl]ethanone?
1-[2-(2,3-dichloroanilino)-1,3-thiazol-5-yl]ethanone has a molecular weight of 287.17 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dichloroanilino)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 3771946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).