5-chloro-2-(4-chlorophenyl)-1,2-thiazol-3-one

C9H5Cl2NOS — CID 10354533

IUPAC5-chloro-2-(4-chlorophenyl)-1,2-thiazol-3-one
SMILESO=c1cc(Cl)sn1-c1ccc(Cl)cc1
InChIInChI=1S/C9H5Cl2NOS/c10-6-1-3-7(4-2-6)12-9(13)5-8(11)14-12/h1-5H
InChIKeyZIOQEVKWYVUNBA-UHFFFAOYSA-N
MW246.12 g/mol
LogP3.21
Rot. Bonds1

About 5-chloro-2-(4-chlorophenyl)-1,2-thiazol-3-one

5-chloro-2-(4-chlorophenyl)-1,2-thiazol-3-one (PubChem CID 10354533) has the molecular formula C9H5Cl2NOS and a molecular weight of 246.12 g/mol. Its IUPAC name is 5-chloro-2-(4-chlorophenyl)-1,2-thiazol-3-one.

Molecular Properties

Compound Name5-chloro-2-(4-chlorophenyl)-1,2-thiazol-3-one
PubChem CID10354533
Molecular FormulaC9H5Cl2NOS
Molecular Weight246.12 g/mol
Exact Mass244.95
IUPAC Name5-chloro-2-(4-chlorophenyl)-1,2-thiazol-3-one
SMILESO=c1cc(Cl)sn1-c1ccc(Cl)cc1
InChIInChI=1S/C9H5Cl2NOS/c10-6-1-3-7(4-2-6)12-9(13)5-8(11)14-12/h1-5H
InChIKeyZIOQEVKWYVUNBA-UHFFFAOYSA-N
XLogP3.21
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.12
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-chlorophenyl)-1,2-thiazol-3-one?
The IUPAC name of 5-chloro-2-(4-chlorophenyl)-1,2-thiazol-3-one (CID 10354533) is 5-chloro-2-(4-chlorophenyl)-1,2-thiazol-3-one.
What is the SMILES notation for 5-chloro-2-(4-chlorophenyl)-1,2-thiazol-3-one?
The canonical SMILES for 5-chloro-2-(4-chlorophenyl)-1,2-thiazol-3-one is O=c1cc(Cl)sn1-c1ccc(Cl)cc1.
What is the InChIKey of 5-chloro-2-(4-chlorophenyl)-1,2-thiazol-3-one?
The InChIKey is ZIOQEVKWYVUNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2NOS/c10-6-1-3-7(4-2-6)12-9(13)5-8(11)14-12/h1-5H.
What are the key properties of 5-chloro-2-(4-chlorophenyl)-1,2-thiazol-3-one?
5-chloro-2-(4-chlorophenyl)-1,2-thiazol-3-one has a molecular weight of 246.12 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-chlorophenyl)-1,2-thiazol-3-one is sourced from PubChem (CID 10354533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).