2-[(2-chlorophenoxy)methyl]-4-(3-fluorophenyl)-1,3-thiazole

C16H11ClFNOS — CID 2742493

IUPAC2-[(2-chlorophenoxy)methyl]-4-(3-fluorophenyl)-1,3-thiazole
SMILESFc1cccc(-c2csc(COc3ccccc3Cl)n2)c1
InChIInChI=1S/C16H11ClFNOS/c17-13-6-1-2-7-15(13)20-9-16-19-14(10-21-16)11-4-3-5-12(18)8-11/h1-8,10H,9H2
InChIKeyCCXHJSDSDXCLHD-UHFFFAOYSA-N
MW319.79 g/mol
LogP5.18
Rot. Bonds4

About 2-[(2-chlorophenoxy)methyl]-4-(3-fluorophenyl)-1,3-thiazole

2-[(2-chlorophenoxy)methyl]-4-(3-fluorophenyl)-1,3-thiazole (PubChem CID 2742493) has the molecular formula C16H11ClFNOS and a molecular weight of 319.79 g/mol. Its IUPAC name is 2-[(2-chlorophenoxy)methyl]-4-(3-fluorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(2-chlorophenoxy)methyl]-4-(3-fluorophenyl)-1,3-thiazole
PubChem CID2742493
Molecular FormulaC16H11ClFNOS
Molecular Weight319.79 g/mol
Exact Mass319.02
IUPAC Name2-[(2-chlorophenoxy)methyl]-4-(3-fluorophenyl)-1,3-thiazole
SMILESFc1cccc(-c2csc(COc3ccccc3Cl)n2)c1
InChIInChI=1S/C16H11ClFNOS/c17-13-6-1-2-7-15(13)20-9-16-19-14(10-21-16)11-4-3-5-12(18)8-11/h1-8,10H,9H2
InChIKeyCCXHJSDSDXCLHD-UHFFFAOYSA-N
XLogP5.18
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.79
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenoxy)methyl]-4-(3-fluorophenyl)-1,3-thiazole?
The IUPAC name of 2-[(2-chlorophenoxy)methyl]-4-(3-fluorophenyl)-1,3-thiazole (CID 2742493) is 2-[(2-chlorophenoxy)methyl]-4-(3-fluorophenyl)-1,3-thiazole.
What is the SMILES notation for 2-[(2-chlorophenoxy)methyl]-4-(3-fluorophenyl)-1,3-thiazole?
The canonical SMILES for 2-[(2-chlorophenoxy)methyl]-4-(3-fluorophenyl)-1,3-thiazole is Fc1cccc(-c2csc(COc3ccccc3Cl)n2)c1.
What is the InChIKey of 2-[(2-chlorophenoxy)methyl]-4-(3-fluorophenyl)-1,3-thiazole?
The InChIKey is CCXHJSDSDXCLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNOS/c17-13-6-1-2-7-15(13)20-9-16-19-14(10-21-16)11-4-3-5-12(18)8-11/h1-8,10H,9H2.
What are the key properties of 2-[(2-chlorophenoxy)methyl]-4-(3-fluorophenyl)-1,3-thiazole?
2-[(2-chlorophenoxy)methyl]-4-(3-fluorophenyl)-1,3-thiazole has a molecular weight of 319.79 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenoxy)methyl]-4-(3-fluorophenyl)-1,3-thiazole is sourced from PubChem (CID 2742493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).