5-chloro-2-[(2-fluorophenyl)methylsulfonyl]-1,3-thiazole

C10H7ClFNO2S2 — CID 86214966

IUPAC5-chloro-2-[(2-fluorophenyl)methylsulfonyl]-1,3-thiazole
SMILESO=S(=O)(Cc1ccccc1F)c1ncc(Cl)s1
InChIInChI=1S/C10H7ClFNO2S2/c11-9-5-13-10(16-9)17(14,15)6-7-3-1-2-4-8(7)12/h1-5H,6H2
InChIKeyPLJROJVYAYWUIS-UHFFFAOYSA-N
MW291.76 g/mol
LogP2.91
Rot. Bonds3

About 5-chloro-2-[(2-fluorophenyl)methylsulfonyl]-1,3-thiazole

5-chloro-2-[(2-fluorophenyl)methylsulfonyl]-1,3-thiazole (PubChem CID 86214966) has the molecular formula C10H7ClFNO2S2 and a molecular weight of 291.76 g/mol. Its IUPAC name is 5-chloro-2-[(2-fluorophenyl)methylsulfonyl]-1,3-thiazole.

Molecular Properties

Compound Name5-chloro-2-[(2-fluorophenyl)methylsulfonyl]-1,3-thiazole
PubChem CID86214966
Molecular FormulaC10H7ClFNO2S2
Molecular Weight291.76 g/mol
Exact Mass290.96
IUPAC Name5-chloro-2-[(2-fluorophenyl)methylsulfonyl]-1,3-thiazole
SMILESO=S(=O)(Cc1ccccc1F)c1ncc(Cl)s1
InChIInChI=1S/C10H7ClFNO2S2/c11-9-5-13-10(16-9)17(14,15)6-7-3-1-2-4-8(7)12/h1-5H,6H2
InChIKeyPLJROJVYAYWUIS-UHFFFAOYSA-N
XLogP2.91
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2-fluorophenyl)methylsulfonyl]-1,3-thiazole?
The IUPAC name of 5-chloro-2-[(2-fluorophenyl)methylsulfonyl]-1,3-thiazole (CID 86214966) is 5-chloro-2-[(2-fluorophenyl)methylsulfonyl]-1,3-thiazole.
What is the SMILES notation for 5-chloro-2-[(2-fluorophenyl)methylsulfonyl]-1,3-thiazole?
The canonical SMILES for 5-chloro-2-[(2-fluorophenyl)methylsulfonyl]-1,3-thiazole is O=S(=O)(Cc1ccccc1F)c1ncc(Cl)s1.
What is the InChIKey of 5-chloro-2-[(2-fluorophenyl)methylsulfonyl]-1,3-thiazole?
The InChIKey is PLJROJVYAYWUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNO2S2/c11-9-5-13-10(16-9)17(14,15)6-7-3-1-2-4-8(7)12/h1-5H,6H2.
What are the key properties of 5-chloro-2-[(2-fluorophenyl)methylsulfonyl]-1,3-thiazole?
5-chloro-2-[(2-fluorophenyl)methylsulfonyl]-1,3-thiazole has a molecular weight of 291.76 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2-fluorophenyl)methylsulfonyl]-1,3-thiazole is sourced from PubChem (CID 86214966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).