5-(3,5-dichlorophenoxy)-1,3-thiazole

C9H5Cl2NOS — CID 68869629

IUPAC5-(3,5-dichlorophenoxy)-1,3-thiazole
SMILESClc1cc(Cl)cc(Oc2cncs2)c1
InChIInChI=1S/C9H5Cl2NOS/c10-6-1-7(11)3-8(2-6)13-9-4-12-5-14-9/h1-5H
InChIKeyISOPDDMODFNIJJ-UHFFFAOYSA-N
MW246.12 g/mol
LogP4.24
Rot. Bonds2

About 5-(3,5-dichlorophenoxy)-1,3-thiazole

5-(3,5-dichlorophenoxy)-1,3-thiazole (PubChem CID 68869629) has the molecular formula C9H5Cl2NOS and a molecular weight of 246.12 g/mol. Its IUPAC name is 5-(3,5-dichlorophenoxy)-1,3-thiazole.

Molecular Properties

Compound Name5-(3,5-dichlorophenoxy)-1,3-thiazole
PubChem CID68869629
Molecular FormulaC9H5Cl2NOS
Molecular Weight246.12 g/mol
Exact Mass244.95
IUPAC Name5-(3,5-dichlorophenoxy)-1,3-thiazole
SMILESClc1cc(Cl)cc(Oc2cncs2)c1
InChIInChI=1S/C9H5Cl2NOS/c10-6-1-7(11)3-8(2-6)13-9-4-12-5-14-9/h1-5H
InChIKeyISOPDDMODFNIJJ-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-(3,5-dichlorophenoxy)-1,3-thiazole?
The IUPAC name of 5-(3,5-dichlorophenoxy)-1,3-thiazole (CID 68869629) is 5-(3,5-dichlorophenoxy)-1,3-thiazole.
What is the SMILES notation for 5-(3,5-dichlorophenoxy)-1,3-thiazole?
The canonical SMILES for 5-(3,5-dichlorophenoxy)-1,3-thiazole is Clc1cc(Cl)cc(Oc2cncs2)c1.
What is the InChIKey of 5-(3,5-dichlorophenoxy)-1,3-thiazole?
The InChIKey is ISOPDDMODFNIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2NOS/c10-6-1-7(11)3-8(2-6)13-9-4-12-5-14-9/h1-5H.
What are the key properties of 5-(3,5-dichlorophenoxy)-1,3-thiazole?
5-(3,5-dichlorophenoxy)-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-(3,5-dichlorophenoxy)-1,3-thiazole is sourced from PubChem (CID 68869629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).