2-[(2-fluorophenyl)methylsulfonylmethyl]-1,3-thiazole

C11H10FNO2S2 — CID 90980541

IUPAC2-[(2-fluorophenyl)methylsulfonylmethyl]-1,3-thiazole
SMILESO=S(=O)(Cc1nccs1)Cc1ccccc1F
InChIInChI=1S/C11H10FNO2S2/c12-10-4-2-1-3-9(10)7-17(14,15)8-11-13-5-6-16-11/h1-6H,7-8H2
InChIKeyAZNFYCKHGKQOEO-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.40
Rot. Bonds4

About 2-[(2-fluorophenyl)methylsulfonylmethyl]-1,3-thiazole

2-[(2-fluorophenyl)methylsulfonylmethyl]-1,3-thiazole (PubChem CID 90980541) has the molecular formula C11H10FNO2S2 and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylsulfonylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylsulfonylmethyl]-1,3-thiazole
PubChem CID90980541
Molecular FormulaC11H10FNO2S2
Molecular Weight271.34 g/mol
Exact Mass271.01
IUPAC Name2-[(2-fluorophenyl)methylsulfonylmethyl]-1,3-thiazole
SMILESO=S(=O)(Cc1nccs1)Cc1ccccc1F
InChIInChI=1S/C11H10FNO2S2/c12-10-4-2-1-3-9(10)7-17(14,15)8-11-13-5-6-16-11/h1-6H,7-8H2
InChIKeyAZNFYCKHGKQOEO-UHFFFAOYSA-N
XLogP2.40
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylsulfonylmethyl]-1,3-thiazole?
The IUPAC name of 2-[(2-fluorophenyl)methylsulfonylmethyl]-1,3-thiazole (CID 90980541) is 2-[(2-fluorophenyl)methylsulfonylmethyl]-1,3-thiazole.
What is the SMILES notation for 2-[(2-fluorophenyl)methylsulfonylmethyl]-1,3-thiazole?
The canonical SMILES for 2-[(2-fluorophenyl)methylsulfonylmethyl]-1,3-thiazole is O=S(=O)(Cc1nccs1)Cc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methylsulfonylmethyl]-1,3-thiazole?
The InChIKey is AZNFYCKHGKQOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2S2/c12-10-4-2-1-3-9(10)7-17(14,15)8-11-13-5-6-16-11/h1-6H,7-8H2.
What are the key properties of 2-[(2-fluorophenyl)methylsulfonylmethyl]-1,3-thiazole?
2-[(2-fluorophenyl)methylsulfonylmethyl]-1,3-thiazole has a molecular weight of 271.34 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylsulfonylmethyl]-1,3-thiazole is sourced from PubChem (CID 90980541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).