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

C10H7ClFNOS — CID 170408959

IUPAC4-chloro-2-(4-fluorophenoxy)-5-methyl-1,3-thiazole
SMILESCc1sc(Oc2ccc(F)cc2)nc1Cl
InChIInChI=1S/C10H7ClFNOS/c1-6-9(11)13-10(15-6)14-8-4-2-7(12)3-5-8/h2-5H,1H3
InChIKeyYPJZBOAPHWDAMR-UHFFFAOYSA-N
MW243.69 g/mol
LogP4.04
Rot. Bonds2

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

4-chloro-2-(4-fluorophenoxy)-5-methyl-1,3-thiazole (PubChem CID 170408959) has the molecular formula C10H7ClFNOS and a molecular weight of 243.69 g/mol. Its IUPAC name is 4-chloro-2-(4-fluorophenoxy)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-(4-fluorophenoxy)-5-methyl-1,3-thiazole
PubChem CID170408959
Molecular FormulaC10H7ClFNOS
Molecular Weight243.69 g/mol
Exact Mass242.99
IUPAC Name4-chloro-2-(4-fluorophenoxy)-5-methyl-1,3-thiazole
SMILESCc1sc(Oc2ccc(F)cc2)nc1Cl
InChIInChI=1S/C10H7ClFNOS/c1-6-9(11)13-10(15-6)14-8-4-2-7(12)3-5-8/h2-5H,1H3
InChIKeyYPJZBOAPHWDAMR-UHFFFAOYSA-N
XLogP4.04
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-fluorophenoxy)-5-methyl-1,3-thiazole?
The IUPAC name of 4-chloro-2-(4-fluorophenoxy)-5-methyl-1,3-thiazole (CID 170408959) is 4-chloro-2-(4-fluorophenoxy)-5-methyl-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-(4-fluorophenoxy)-5-methyl-1,3-thiazole?
The canonical SMILES for 4-chloro-2-(4-fluorophenoxy)-5-methyl-1,3-thiazole is Cc1sc(Oc2ccc(F)cc2)nc1Cl.
What is the InChIKey of 4-chloro-2-(4-fluorophenoxy)-5-methyl-1,3-thiazole?
The InChIKey is YPJZBOAPHWDAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNOS/c1-6-9(11)13-10(15-6)14-8-4-2-7(12)3-5-8/h2-5H,1H3.
What are the key properties of 4-chloro-2-(4-fluorophenoxy)-5-methyl-1,3-thiazole?
4-chloro-2-(4-fluorophenoxy)-5-methyl-1,3-thiazole has a molecular weight of 243.69 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-fluorophenoxy)-5-methyl-1,3-thiazole is sourced from PubChem (CID 170408959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).