4-(4-fluorophenyl)-5-methyl-2-(2-methylsulfonylpropan-2-yl)-1,3-thiazole

C14H16FNO2S2 — CID 136569201

IUPAC4-(4-fluorophenyl)-5-methyl-2-(2-methylsulfonylpropan-2-yl)-1,3-thiazole
SMILESCc1sc(C(C)(C)S(C)(=O)=O)nc1-c1ccc(F)cc1
InChIInChI=1S/C14H16FNO2S2/c1-9-12(10-5-7-11(15)8-6-10)16-13(19-9)14(2,3)20(4,17)18/h5-8H,1-4H3
InChIKeyAOJGYYANKNVGFE-UHFFFAOYSA-N
MW313.42 g/mol
LogP3.54
Rot. Bonds3

About 4-(4-fluorophenyl)-5-methyl-2-(2-methylsulfonylpropan-2-yl)-1,3-thiazole

4-(4-fluorophenyl)-5-methyl-2-(2-methylsulfonylpropan-2-yl)-1,3-thiazole (PubChem CID 136569201) has the molecular formula C14H16FNO2S2 and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-methyl-2-(2-methylsulfonylpropan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-methyl-2-(2-methylsulfonylpropan-2-yl)-1,3-thiazole
PubChem CID136569201
Molecular FormulaC14H16FNO2S2
Molecular Weight313.42 g/mol
Exact Mass313.06
IUPAC Name4-(4-fluorophenyl)-5-methyl-2-(2-methylsulfonylpropan-2-yl)-1,3-thiazole
SMILESCc1sc(C(C)(C)S(C)(=O)=O)nc1-c1ccc(F)cc1
InChIInChI=1S/C14H16FNO2S2/c1-9-12(10-5-7-11(15)8-6-10)16-13(19-9)14(2,3)20(4,17)18/h5-8H,1-4H3
InChIKeyAOJGYYANKNVGFE-UHFFFAOYSA-N
XLogP3.54
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-fluorophenyl)-5-methyl-2-(2-methylsulfonylpropan-2-yl)-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 4-(4-fluorophenyl)-5-methyl-2-(2-methylsulfonylpropan-2-yl)-1,3-thiazole?
The IUPAC name of 4-(4-fluorophenyl)-5-methyl-2-(2-methylsulfonylpropan-2-yl)-1,3-thiazole (CID 136569201) is 4-(4-fluorophenyl)-5-methyl-2-(2-methylsulfonylpropan-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-(4-fluorophenyl)-5-methyl-2-(2-methylsulfonylpropan-2-yl)-1,3-thiazole?
The canonical SMILES for 4-(4-fluorophenyl)-5-methyl-2-(2-methylsulfonylpropan-2-yl)-1,3-thiazole is Cc1sc(C(C)(C)S(C)(=O)=O)nc1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-methyl-2-(2-methylsulfonylpropan-2-yl)-1,3-thiazole?
The InChIKey is AOJGYYANKNVGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2S2/c1-9-12(10-5-7-11(15)8-6-10)16-13(19-9)14(2,3)20(4,17)18/h5-8H,1-4H3.
What are the key properties of 4-(4-fluorophenyl)-5-methyl-2-(2-methylsulfonylpropan-2-yl)-1,3-thiazole?
4-(4-fluorophenyl)-5-methyl-2-(2-methylsulfonylpropan-2-yl)-1,3-thiazole has a molecular weight of 313.42 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-methyl-2-(2-methylsulfonylpropan-2-yl)-1,3-thiazole is sourced from PubChem (CID 136569201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).