2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazole

C10H7Cl2NOS — CID 53406325

IUPAC2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazole
SMILESClc1cc(Cl)cc(OCc2nccs2)c1
InChIInChI=1S/C10H7Cl2NOS/c11-7-3-8(12)5-9(4-7)14-6-10-13-1-2-15-10/h1-5H,6H2
InChIKeyAMASECOLQDPALQ-UHFFFAOYSA-N
MW260.14 g/mol
LogP4.03
Rot. Bonds3

About 2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazole

2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazole (PubChem CID 53406325) has the molecular formula C10H7Cl2NOS and a molecular weight of 260.14 g/mol. Its IUPAC name is 2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazole
PubChem CID53406325
Molecular FormulaC10H7Cl2NOS
Molecular Weight260.14 g/mol
Exact Mass258.96
IUPAC Name2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazole
SMILESClc1cc(Cl)cc(OCc2nccs2)c1
InChIInChI=1S/C10H7Cl2NOS/c11-7-3-8(12)5-9(4-7)14-6-10-13-1-2-15-10/h1-5H,6H2
InChIKeyAMASECOLQDPALQ-UHFFFAOYSA-N
XLogP4.03
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.14
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazole?
The IUPAC name of 2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazole (CID 53406325) is 2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazole?
The canonical SMILES for 2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazole is Clc1cc(Cl)cc(OCc2nccs2)c1.
What is the InChIKey of 2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazole?
The InChIKey is AMASECOLQDPALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NOS/c11-7-3-8(12)5-9(4-7)14-6-10-13-1-2-15-10/h1-5H,6H2.
What are the key properties of 2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazole?
2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazole has a molecular weight of 260.14 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 53406325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).