2-[(2-chlorophenoxy)methyl]-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole

C23H17ClFNO3S2 — CID 22911777

IUPAC2-[(2-chlorophenoxy)methyl]-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole
SMILESCS(=O)(=O)c1ccccc1-c1sc(COc2ccccc2Cl)nc1-c1ccc(F)cc1
InChIInChI=1S/C23H17ClFNO3S2/c1-31(27,28)20-9-5-2-6-17(20)23-22(15-10-12-16(25)13-11-15)26-21(30-23)14-29-19-8-4-3-7-18(19)24/h2-13H,14H2,1H3
InChIKeyCCMUAZIQFSYQOS-UHFFFAOYSA-N
MW473.98 g/mol
LogP6.25
Rot. Bonds6

About 2-[(2-chlorophenoxy)methyl]-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole

2-[(2-chlorophenoxy)methyl]-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole (PubChem CID 22911777) has the molecular formula C23H17ClFNO3S2 and a molecular weight of 473.98 g/mol. Its IUPAC name is 2-[(2-chlorophenoxy)methyl]-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(2-chlorophenoxy)methyl]-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole
PubChem CID22911777
Molecular FormulaC23H17ClFNO3S2
Molecular Weight473.98 g/mol
Exact Mass473.03
IUPAC Name2-[(2-chlorophenoxy)methyl]-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole
SMILESCS(=O)(=O)c1ccccc1-c1sc(COc2ccccc2Cl)nc1-c1ccc(F)cc1
InChIInChI=1S/C23H17ClFNO3S2/c1-31(27,28)20-9-5-2-6-17(20)23-22(15-10-12-16(25)13-11-15)26-21(30-23)14-29-19-8-4-3-7-18(19)24/h2-13H,14H2,1H3
InChIKeyCCMUAZIQFSYQOS-UHFFFAOYSA-N
XLogP6.25
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.98
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(2-chlorophenoxy)methyl]-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenoxy)methyl]-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole?
The IUPAC name of 2-[(2-chlorophenoxy)methyl]-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole (CID 22911777) is 2-[(2-chlorophenoxy)methyl]-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-[(2-chlorophenoxy)methyl]-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole?
The canonical SMILES for 2-[(2-chlorophenoxy)methyl]-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole is CS(=O)(=O)c1ccccc1-c1sc(COc2ccccc2Cl)nc1-c1ccc(F)cc1.
What is the InChIKey of 2-[(2-chlorophenoxy)methyl]-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole?
The InChIKey is CCMUAZIQFSYQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFNO3S2/c1-31(27,28)20-9-5-2-6-17(20)23-22(15-10-12-16(25)13-11-15)26-21(30-23)14-29-19-8-4-3-7-18(19)24/h2-13H,14H2,1H3.
What are the key properties of 2-[(2-chlorophenoxy)methyl]-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole?
2-[(2-chlorophenoxy)methyl]-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole has a molecular weight of 473.98 g/mol, XLogP of 6.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenoxy)methyl]-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole is sourced from PubChem (CID 22911777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).