2-chloro-5-[(3-chloro-4-fluorophenoxy)methyl]-1,3-thiazole

C10H6Cl2FNOS — CID 79764502

IUPAC2-chloro-5-[(3-chloro-4-fluorophenoxy)methyl]-1,3-thiazole
SMILESFc1ccc(OCc2cnc(Cl)s2)cc1Cl
InChIInChI=1S/C10H6Cl2FNOS/c11-8-3-6(1-2-9(8)13)15-5-7-4-14-10(12)16-7/h1-4H,5H2
InChIKeyPUSNTIYAJHBCAF-UHFFFAOYSA-N
MW278.14 g/mol
LogP4.17
Rot. Bonds3

About 2-chloro-5-[(3-chloro-4-fluorophenoxy)methyl]-1,3-thiazole

2-chloro-5-[(3-chloro-4-fluorophenoxy)methyl]-1,3-thiazole (PubChem CID 79764502) has the molecular formula C10H6Cl2FNOS and a molecular weight of 278.14 g/mol. Its IUPAC name is 2-chloro-5-[(3-chloro-4-fluorophenoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[(3-chloro-4-fluorophenoxy)methyl]-1,3-thiazole
PubChem CID79764502
Molecular FormulaC10H6Cl2FNOS
Molecular Weight278.14 g/mol
Exact Mass276.95
IUPAC Name2-chloro-5-[(3-chloro-4-fluorophenoxy)methyl]-1,3-thiazole
SMILESFc1ccc(OCc2cnc(Cl)s2)cc1Cl
InChIInChI=1S/C10H6Cl2FNOS/c11-8-3-6(1-2-9(8)13)15-5-7-4-14-10(12)16-7/h1-4H,5H2
InChIKeyPUSNTIYAJHBCAF-UHFFFAOYSA-N
XLogP4.17
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-5-[(3-chloro-4-fluorophenoxy)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-chloro-5-[(3-chloro-4-fluorophenoxy)methyl]-1,3-thiazole?
The IUPAC name of 2-chloro-5-[(3-chloro-4-fluorophenoxy)methyl]-1,3-thiazole (CID 79764502) is 2-chloro-5-[(3-chloro-4-fluorophenoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[(3-chloro-4-fluorophenoxy)methyl]-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[(3-chloro-4-fluorophenoxy)methyl]-1,3-thiazole is Fc1ccc(OCc2cnc(Cl)s2)cc1Cl.
What is the InChIKey of 2-chloro-5-[(3-chloro-4-fluorophenoxy)methyl]-1,3-thiazole?
The InChIKey is PUSNTIYAJHBCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2FNOS/c11-8-3-6(1-2-9(8)13)15-5-7-4-14-10(12)16-7/h1-4H,5H2.
What are the key properties of 2-chloro-5-[(3-chloro-4-fluorophenoxy)methyl]-1,3-thiazole?
2-chloro-5-[(3-chloro-4-fluorophenoxy)methyl]-1,3-thiazole has a molecular weight of 278.14 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(3-chloro-4-fluorophenoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 79764502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).