5-(3,5-difluorophenyl)-2-(3-methylsulfonylphenyl)-1,3-thiazole

C16H11F2NO2S2 — CID 57049494

IUPAC5-(3,5-difluorophenyl)-2-(3-methylsulfonylphenyl)-1,3-thiazole
SMILESCS(=O)(=O)c1cccc(-c2ncc(-c3cc(F)cc(F)c3)s2)c1
InChIInChI=1S/C16H11F2NO2S2/c1-23(20,21)14-4-2-3-10(7-14)16-19-9-15(22-16)11-5-12(17)8-13(18)6-11/h2-9H,1H3
InChIKeyPCXJBFHFEKHBKS-UHFFFAOYSA-N
MW351.40 g/mol
LogP4.16
Rot. Bonds3

About 5-(3,5-difluorophenyl)-2-(3-methylsulfonylphenyl)-1,3-thiazole

5-(3,5-difluorophenyl)-2-(3-methylsulfonylphenyl)-1,3-thiazole (PubChem CID 57049494) has the molecular formula C16H11F2NO2S2 and a molecular weight of 351.40 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-2-(3-methylsulfonylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)-2-(3-methylsulfonylphenyl)-1,3-thiazole
PubChem CID57049494
Molecular FormulaC16H11F2NO2S2
Molecular Weight351.40 g/mol
Exact Mass351.02
IUPAC Name5-(3,5-difluorophenyl)-2-(3-methylsulfonylphenyl)-1,3-thiazole
SMILESCS(=O)(=O)c1cccc(-c2ncc(-c3cc(F)cc(F)c3)s2)c1
InChIInChI=1S/C16H11F2NO2S2/c1-23(20,21)14-4-2-3-10(7-14)16-19-9-15(22-16)11-5-12(17)8-13(18)6-11/h2-9H,1H3
InChIKeyPCXJBFHFEKHBKS-UHFFFAOYSA-N
XLogP4.16
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)-2-(3-methylsulfonylphenyl)-1,3-thiazole?
The IUPAC name of 5-(3,5-difluorophenyl)-2-(3-methylsulfonylphenyl)-1,3-thiazole (CID 57049494) is 5-(3,5-difluorophenyl)-2-(3-methylsulfonylphenyl)-1,3-thiazole.
What is the SMILES notation for 5-(3,5-difluorophenyl)-2-(3-methylsulfonylphenyl)-1,3-thiazole?
The canonical SMILES for 5-(3,5-difluorophenyl)-2-(3-methylsulfonylphenyl)-1,3-thiazole is CS(=O)(=O)c1cccc(-c2ncc(-c3cc(F)cc(F)c3)s2)c1.
What is the InChIKey of 5-(3,5-difluorophenyl)-2-(3-methylsulfonylphenyl)-1,3-thiazole?
The InChIKey is PCXJBFHFEKHBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NO2S2/c1-23(20,21)14-4-2-3-10(7-14)16-19-9-15(22-16)11-5-12(17)8-13(18)6-11/h2-9H,1H3.
What are the key properties of 5-(3,5-difluorophenyl)-2-(3-methylsulfonylphenyl)-1,3-thiazole?
5-(3,5-difluorophenyl)-2-(3-methylsulfonylphenyl)-1,3-thiazole has a molecular weight of 351.40 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenyl)-2-(3-methylsulfonylphenyl)-1,3-thiazole is sourced from PubChem (CID 57049494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).