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

C14H13ClFNO2S — CID 126774700

IUPAC4-[(3-chloro-2-fluorophenoxy)methyl]-2-(oxolan-2-yl)-1,3-thiazole
SMILESFc1c(Cl)cccc1OCc1csc(C2CCCO2)n1
InChIInChI=1S/C14H13ClFNO2S/c15-10-3-1-4-11(13(10)16)19-7-9-8-20-14(17-9)12-5-2-6-18-12/h1,3-4,8,12H,2,5-7H2
InChIKeyWYPKDEWISOWXLO-UHFFFAOYSA-N
MW313.78 g/mol
LogP4.37
Rot. Bonds4

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

4-[(3-chloro-2-fluorophenoxy)methyl]-2-(oxolan-2-yl)-1,3-thiazole (PubChem CID 126774700) has the molecular formula C14H13ClFNO2S and a molecular weight of 313.78 g/mol. Its IUPAC name is 4-[(3-chloro-2-fluorophenoxy)methyl]-2-(oxolan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-[(3-chloro-2-fluorophenoxy)methyl]-2-(oxolan-2-yl)-1,3-thiazole
PubChem CID126774700
Molecular FormulaC14H13ClFNO2S
Molecular Weight313.78 g/mol
Exact Mass313.03
IUPAC Name4-[(3-chloro-2-fluorophenoxy)methyl]-2-(oxolan-2-yl)-1,3-thiazole
SMILESFc1c(Cl)cccc1OCc1csc(C2CCCO2)n1
InChIInChI=1S/C14H13ClFNO2S/c15-10-3-1-4-11(13(10)16)19-7-9-8-20-14(17-9)12-5-2-6-18-12/h1,3-4,8,12H,2,5-7H2
InChIKeyWYPKDEWISOWXLO-UHFFFAOYSA-N
XLogP4.37
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-2-fluorophenoxy)methyl]-2-(oxolan-2-yl)-1,3-thiazole?
The IUPAC name of 4-[(3-chloro-2-fluorophenoxy)methyl]-2-(oxolan-2-yl)-1,3-thiazole (CID 126774700) is 4-[(3-chloro-2-fluorophenoxy)methyl]-2-(oxolan-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-[(3-chloro-2-fluorophenoxy)methyl]-2-(oxolan-2-yl)-1,3-thiazole?
The canonical SMILES for 4-[(3-chloro-2-fluorophenoxy)methyl]-2-(oxolan-2-yl)-1,3-thiazole is Fc1c(Cl)cccc1OCc1csc(C2CCCO2)n1.
What is the InChIKey of 4-[(3-chloro-2-fluorophenoxy)methyl]-2-(oxolan-2-yl)-1,3-thiazole?
The InChIKey is WYPKDEWISOWXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO2S/c15-10-3-1-4-11(13(10)16)19-7-9-8-20-14(17-9)12-5-2-6-18-12/h1,3-4,8,12H,2,5-7H2.
What are the key properties of 4-[(3-chloro-2-fluorophenoxy)methyl]-2-(oxolan-2-yl)-1,3-thiazole?
4-[(3-chloro-2-fluorophenoxy)methyl]-2-(oxolan-2-yl)-1,3-thiazole has a molecular weight of 313.78 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-2-fluorophenoxy)methyl]-2-(oxolan-2-yl)-1,3-thiazole is sourced from PubChem (CID 126774700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).