5-chloro-2-(3-chlorophenoxy)-1,3-thiazole

C9H5Cl2NOS — CID 117260294

IUPAC5-chloro-2-(3-chlorophenoxy)-1,3-thiazole
SMILESClc1cccc(Oc2ncc(Cl)s2)c1
InChIInChI=1S/C9H5Cl2NOS/c10-6-2-1-3-7(4-6)13-9-12-5-8(11)14-9/h1-5H
InChIKeyLMHXYXBOLFPMLH-UHFFFAOYSA-N
MW246.12 g/mol
LogP4.24
Rot. Bonds2

About 5-chloro-2-(3-chlorophenoxy)-1,3-thiazole

5-chloro-2-(3-chlorophenoxy)-1,3-thiazole (PubChem CID 117260294) has the molecular formula C9H5Cl2NOS and a molecular weight of 246.12 g/mol. Its IUPAC name is 5-chloro-2-(3-chlorophenoxy)-1,3-thiazole.

Molecular Properties

Compound Name5-chloro-2-(3-chlorophenoxy)-1,3-thiazole
PubChem CID117260294
Molecular FormulaC9H5Cl2NOS
Molecular Weight246.12 g/mol
Exact Mass244.95
IUPAC Name5-chloro-2-(3-chlorophenoxy)-1,3-thiazole
SMILESClc1cccc(Oc2ncc(Cl)s2)c1
InChIInChI=1S/C9H5Cl2NOS/c10-6-2-1-3-7(4-6)13-9-12-5-8(11)14-9/h1-5H
InChIKeyLMHXYXBOLFPMLH-UHFFFAOYSA-N
XLogP4.24
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.12
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-chlorophenoxy)-1,3-thiazole?
The IUPAC name of 5-chloro-2-(3-chlorophenoxy)-1,3-thiazole (CID 117260294) is 5-chloro-2-(3-chlorophenoxy)-1,3-thiazole.
What is the SMILES notation for 5-chloro-2-(3-chlorophenoxy)-1,3-thiazole?
The canonical SMILES for 5-chloro-2-(3-chlorophenoxy)-1,3-thiazole is Clc1cccc(Oc2ncc(Cl)s2)c1.
What is the InChIKey of 5-chloro-2-(3-chlorophenoxy)-1,3-thiazole?
The InChIKey is LMHXYXBOLFPMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2NOS/c10-6-2-1-3-7(4-6)13-9-12-5-8(11)14-9/h1-5H.
What are the key properties of 5-chloro-2-(3-chlorophenoxy)-1,3-thiazole?
5-chloro-2-(3-chlorophenoxy)-1,3-thiazole has a molecular weight of 246.12 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-chlorophenoxy)-1,3-thiazole is sourced from PubChem (CID 117260294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).