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

C12H11ClFNOS — CID 82705902

IUPAC4-[(4-chloro-3-fluorophenoxy)methyl]-2-ethyl-1,3-thiazole
SMILESCCc1nc(COc2ccc(Cl)c(F)c2)cs1
InChIInChI=1S/C12H11ClFNOS/c1-2-12-15-8(7-17-12)6-16-9-3-4-10(13)11(14)5-9/h3-5,7H,2,6H2,1H3
InChIKeyCJQCJUXIXPHEKH-UHFFFAOYSA-N
MW271.74 g/mol
LogP4.08
Rot. Bonds4

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

4-[(4-chloro-3-fluorophenoxy)methyl]-2-ethyl-1,3-thiazole (PubChem CID 82705902) has the molecular formula C12H11ClFNOS and a molecular weight of 271.74 g/mol. Its IUPAC name is 4-[(4-chloro-3-fluorophenoxy)methyl]-2-ethyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(4-chloro-3-fluorophenoxy)methyl]-2-ethyl-1,3-thiazole
PubChem CID82705902
Molecular FormulaC12H11ClFNOS
Molecular Weight271.74 g/mol
Exact Mass271.02
IUPAC Name4-[(4-chloro-3-fluorophenoxy)methyl]-2-ethyl-1,3-thiazole
SMILESCCc1nc(COc2ccc(Cl)c(F)c2)cs1
InChIInChI=1S/C12H11ClFNOS/c1-2-12-15-8(7-17-12)6-16-9-3-4-10(13)11(14)5-9/h3-5,7H,2,6H2,1H3
InChIKeyCJQCJUXIXPHEKH-UHFFFAOYSA-N
XLogP4.08
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3-fluorophenoxy)methyl]-2-ethyl-1,3-thiazole?
The IUPAC name of 4-[(4-chloro-3-fluorophenoxy)methyl]-2-ethyl-1,3-thiazole (CID 82705902) is 4-[(4-chloro-3-fluorophenoxy)methyl]-2-ethyl-1,3-thiazole.
What is the SMILES notation for 4-[(4-chloro-3-fluorophenoxy)methyl]-2-ethyl-1,3-thiazole?
The canonical SMILES for 4-[(4-chloro-3-fluorophenoxy)methyl]-2-ethyl-1,3-thiazole is CCc1nc(COc2ccc(Cl)c(F)c2)cs1.
What is the InChIKey of 4-[(4-chloro-3-fluorophenoxy)methyl]-2-ethyl-1,3-thiazole?
The InChIKey is CJQCJUXIXPHEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNOS/c1-2-12-15-8(7-17-12)6-16-9-3-4-10(13)11(14)5-9/h3-5,7H,2,6H2,1H3.
What are the key properties of 4-[(4-chloro-3-fluorophenoxy)methyl]-2-ethyl-1,3-thiazole?
4-[(4-chloro-3-fluorophenoxy)methyl]-2-ethyl-1,3-thiazole has a molecular weight of 271.74 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-3-fluorophenoxy)methyl]-2-ethyl-1,3-thiazole is sourced from PubChem (CID 82705902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).