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

C11H7Cl2NOS — CID 62652441

IUPAC1-[2-(3,5-dichlorophenyl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(-c2cc(Cl)cc(Cl)c2)s1
InChIInChI=1S/C11H7Cl2NOS/c1-6(15)10-5-14-11(16-10)7-2-8(12)4-9(13)3-7/h2-5H,1H3
InChIKeyRUALAOJAJMQDKA-UHFFFAOYSA-N
MW272.16 g/mol
LogP4.32
Rot. Bonds2

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

1-[2-(3,5-dichlorophenyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 62652441) has the molecular formula C11H7Cl2NOS and a molecular weight of 272.16 g/mol. Its IUPAC name is 1-[2-(3,5-dichlorophenyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(3,5-dichlorophenyl)-1,3-thiazol-5-yl]ethanone
PubChem CID62652441
Molecular FormulaC11H7Cl2NOS
Molecular Weight272.16 g/mol
Exact Mass270.96
IUPAC Name1-[2-(3,5-dichlorophenyl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(-c2cc(Cl)cc(Cl)c2)s1
InChIInChI=1S/C11H7Cl2NOS/c1-6(15)10-5-14-11(16-10)7-2-8(12)4-9(13)3-7/h2-5H,1H3
InChIKeyRUALAOJAJMQDKA-UHFFFAOYSA-N
XLogP4.32
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dichlorophenyl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(3,5-dichlorophenyl)-1,3-thiazol-5-yl]ethanone (CID 62652441) is 1-[2-(3,5-dichlorophenyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(3,5-dichlorophenyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(3,5-dichlorophenyl)-1,3-thiazol-5-yl]ethanone is CC(=O)c1cnc(-c2cc(Cl)cc(Cl)c2)s1.
What is the InChIKey of 1-[2-(3,5-dichlorophenyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is RUALAOJAJMQDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2NOS/c1-6(15)10-5-14-11(16-10)7-2-8(12)4-9(13)3-7/h2-5H,1H3.
What are the key properties of 1-[2-(3,5-dichlorophenyl)-1,3-thiazol-5-yl]ethanone?
1-[2-(3,5-dichlorophenyl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 272.16 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dichlorophenyl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 62652441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).