2-(4-fluorophenyl)-4-[[1-(3-fluorophenyl)imidazol-2-yl]sulfonylmethyl]-1,3-thiazole

C19H13F2N3O2S2 — CID 86889864

IUPAC2-(4-fluorophenyl)-4-[[1-(3-fluorophenyl)imidazol-2-yl]sulfonylmethyl]-1,3-thiazole
SMILESO=S(=O)(Cc1csc(-c2ccc(F)cc2)n1)c1nccn1-c1cccc(F)c1
InChIInChI=1S/C19H13F2N3O2S2/c20-14-6-4-13(5-7-14)18-23-16(11-27-18)12-28(25,26)19-22-8-9-24(19)17-3-1-2-15(21)10-17/h1-11H,12H2
InChIKeySRUYSKOKTXGCOJ-UHFFFAOYSA-N
MW417.46 g/mol
LogP4.25
Rot. Bonds5

About 2-(4-fluorophenyl)-4-[[1-(3-fluorophenyl)imidazol-2-yl]sulfonylmethyl]-1,3-thiazole

2-(4-fluorophenyl)-4-[[1-(3-fluorophenyl)imidazol-2-yl]sulfonylmethyl]-1,3-thiazole (PubChem CID 86889864) has the molecular formula C19H13F2N3O2S2 and a molecular weight of 417.46 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-[[1-(3-fluorophenyl)imidazol-2-yl]sulfonylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-[[1-(3-fluorophenyl)imidazol-2-yl]sulfonylmethyl]-1,3-thiazole
PubChem CID86889864
Molecular FormulaC19H13F2N3O2S2
Molecular Weight417.46 g/mol
Exact Mass417.04
IUPAC Name2-(4-fluorophenyl)-4-[[1-(3-fluorophenyl)imidazol-2-yl]sulfonylmethyl]-1,3-thiazole
SMILESO=S(=O)(Cc1csc(-c2ccc(F)cc2)n1)c1nccn1-c1cccc(F)c1
InChIInChI=1S/C19H13F2N3O2S2/c20-14-6-4-13(5-7-14)18-23-16(11-27-18)12-28(25,26)19-22-8-9-24(19)17-3-1-2-15(21)10-17/h1-11H,12H2
InChIKeySRUYSKOKTXGCOJ-UHFFFAOYSA-N
XLogP4.25
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-[[1-(3-fluorophenyl)imidazol-2-yl]sulfonylmethyl]-1,3-thiazole?
The IUPAC name of 2-(4-fluorophenyl)-4-[[1-(3-fluorophenyl)imidazol-2-yl]sulfonylmethyl]-1,3-thiazole (CID 86889864) is 2-(4-fluorophenyl)-4-[[1-(3-fluorophenyl)imidazol-2-yl]sulfonylmethyl]-1,3-thiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-4-[[1-(3-fluorophenyl)imidazol-2-yl]sulfonylmethyl]-1,3-thiazole?
The canonical SMILES for 2-(4-fluorophenyl)-4-[[1-(3-fluorophenyl)imidazol-2-yl]sulfonylmethyl]-1,3-thiazole is O=S(=O)(Cc1csc(-c2ccc(F)cc2)n1)c1nccn1-c1cccc(F)c1.
What is the InChIKey of 2-(4-fluorophenyl)-4-[[1-(3-fluorophenyl)imidazol-2-yl]sulfonylmethyl]-1,3-thiazole?
The InChIKey is SRUYSKOKTXGCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N3O2S2/c20-14-6-4-13(5-7-14)18-23-16(11-27-18)12-28(25,26)19-22-8-9-24(19)17-3-1-2-15(21)10-17/h1-11H,12H2.
What are the key properties of 2-(4-fluorophenyl)-4-[[1-(3-fluorophenyl)imidazol-2-yl]sulfonylmethyl]-1,3-thiazole?
2-(4-fluorophenyl)-4-[[1-(3-fluorophenyl)imidazol-2-yl]sulfonylmethyl]-1,3-thiazole has a molecular weight of 417.46 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-[[1-(3-fluorophenyl)imidazol-2-yl]sulfonylmethyl]-1,3-thiazole is sourced from PubChem (CID 86889864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).