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

C10H7Cl2NOS — CID 3379732

IUPAC2-chloro-5-[(4-chlorophenoxy)methyl]-1,3-thiazole
SMILESClc1ccc(OCc2cnc(Cl)s2)cc1
InChIInChI=1S/C10H7Cl2NOS/c11-7-1-3-8(4-2-7)14-6-9-5-13-10(12)15-9/h1-5H,6H2
InChIKeyUQMJQKRHTZOCNO-UHFFFAOYSA-N
MW260.15 g/mol
LogP4.03
Rot. Bonds3

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

2-chloro-5-[(4-chlorophenoxy)methyl]-1,3-thiazole (PubChem CID 3379732) has the molecular formula C10H7Cl2NOS and a molecular weight of 260.15 g/mol. Its IUPAC name is 2-chloro-5-[(4-chlorophenoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[(4-chlorophenoxy)methyl]-1,3-thiazole
PubChem CID3379732
Molecular FormulaC10H7Cl2NOS
Molecular Weight260.15 g/mol
Exact Mass258.96
IUPAC Name2-chloro-5-[(4-chlorophenoxy)methyl]-1,3-thiazole
SMILESClc1ccc(OCc2cnc(Cl)s2)cc1
InChIInChI=1S/C10H7Cl2NOS/c11-7-1-3-8(4-2-7)14-6-9-5-13-10(12)15-9/h1-5H,6H2
InChIKeyUQMJQKRHTZOCNO-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 ≤ 500260.15
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4-chlorophenoxy)methyl]-1,3-thiazole?
The IUPAC name of 2-chloro-5-[(4-chlorophenoxy)methyl]-1,3-thiazole (CID 3379732) is 2-chloro-5-[(4-chlorophenoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[(4-chlorophenoxy)methyl]-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[(4-chlorophenoxy)methyl]-1,3-thiazole is Clc1ccc(OCc2cnc(Cl)s2)cc1.
What is the InChIKey of 2-chloro-5-[(4-chlorophenoxy)methyl]-1,3-thiazole?
The InChIKey is UQMJQKRHTZOCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NOS/c11-7-1-3-8(4-2-7)14-6-9-5-13-10(12)15-9/h1-5H,6H2.
What are the key properties of 2-chloro-5-[(4-chlorophenoxy)methyl]-1,3-thiazole?
2-chloro-5-[(4-chlorophenoxy)methyl]-1,3-thiazole has a molecular weight of 260.15 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-chloro-5-[(4-chlorophenoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 3379732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).