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

C10H6Cl2FNOS — CID 1490830

IUPAC2-chloro-5-[(4-chloro-3-fluorophenoxy)methyl]-1,3-thiazole
SMILESFc1cc(OCc2cnc(Cl)s2)ccc1Cl
InChIInChI=1S/C10H6Cl2FNOS/c11-8-2-1-6(3-9(8)13)15-5-7-4-14-10(12)16-7/h1-4H,5H2
InChIKeyKWEHXQHTDYDULK-UHFFFAOYSA-N
MW278.14 g/mol
LogP4.17
Rot. Bonds3

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

2-chloro-5-[(4-chloro-3-fluorophenoxy)methyl]-1,3-thiazole (PubChem CID 1490830) has the molecular formula C10H6Cl2FNOS and a molecular weight of 278.14 g/mol. Its IUPAC name is 2-chloro-5-[(4-chloro-3-fluorophenoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[(4-chloro-3-fluorophenoxy)methyl]-1,3-thiazole
PubChem CID1490830
Molecular FormulaC10H6Cl2FNOS
Molecular Weight278.14 g/mol
Exact Mass276.95
IUPAC Name2-chloro-5-[(4-chloro-3-fluorophenoxy)methyl]-1,3-thiazole
SMILESFc1cc(OCc2cnc(Cl)s2)ccc1Cl
InChIInChI=1S/C10H6Cl2FNOS/c11-8-2-1-6(3-9(8)13)15-5-7-4-14-10(12)16-7/h1-4H,5H2
InChIKeyKWEHXQHTDYDULK-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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4-chloro-3-fluorophenoxy)methyl]-1,3-thiazole?
The IUPAC name of 2-chloro-5-[(4-chloro-3-fluorophenoxy)methyl]-1,3-thiazole (CID 1490830) is 2-chloro-5-[(4-chloro-3-fluorophenoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[(4-chloro-3-fluorophenoxy)methyl]-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[(4-chloro-3-fluorophenoxy)methyl]-1,3-thiazole is Fc1cc(OCc2cnc(Cl)s2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(4-chloro-3-fluorophenoxy)methyl]-1,3-thiazole?
The InChIKey is KWEHXQHTDYDULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2FNOS/c11-8-2-1-6(3-9(8)13)15-5-7-4-14-10(12)16-7/h1-4H,5H2.
What are the key properties of 2-chloro-5-[(4-chloro-3-fluorophenoxy)methyl]-1,3-thiazole?
2-chloro-5-[(4-chloro-3-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-[(4-chloro-3-fluorophenoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 1490830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).