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

C11H9ClFNOS — CID 23377281

IUPAC2-chloro-5-[(3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole
SMILESCc1ccc(OCc2cnc(Cl)s2)cc1F
InChIInChI=1S/C11H9ClFNOS/c1-7-2-3-8(4-10(7)13)15-6-9-5-14-11(12)16-9/h2-5H,6H2,1H3
InChIKeyYLUVIIHGXNGHAW-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.82
Rot. Bonds3

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

2-chloro-5-[(3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole (PubChem CID 23377281) has the molecular formula C11H9ClFNOS and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-chloro-5-[(3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[(3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole
PubChem CID23377281
Molecular FormulaC11H9ClFNOS
Molecular Weight257.72 g/mol
Exact Mass257.01
IUPAC Name2-chloro-5-[(3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole
SMILESCc1ccc(OCc2cnc(Cl)s2)cc1F
InChIInChI=1S/C11H9ClFNOS/c1-7-2-3-8(4-10(7)13)15-6-9-5-14-11(12)16-9/h2-5H,6H2,1H3
InChIKeyYLUVIIHGXNGHAW-UHFFFAOYSA-N
XLogP3.82
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole?
The IUPAC name of 2-chloro-5-[(3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole (CID 23377281) is 2-chloro-5-[(3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[(3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[(3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole is Cc1ccc(OCc2cnc(Cl)s2)cc1F.
What is the InChIKey of 2-chloro-5-[(3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole?
The InChIKey is YLUVIIHGXNGHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNOS/c1-7-2-3-8(4-10(7)13)15-6-9-5-14-11(12)16-9/h2-5H,6H2,1H3.
What are the key properties of 2-chloro-5-[(3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole?
2-chloro-5-[(3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole has a molecular weight of 257.72 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 23377281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).