5-fluoro-2-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole

C11H10FNO2S2 — CID 161418433

IUPAC5-fluoro-2-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole
SMILESCc1ccc(S(=O)(=O)Cc2ncc(F)s2)cc1
InChIInChI=1S/C11H10FNO2S2/c1-8-2-4-9(5-3-8)17(14,15)7-11-13-6-10(12)16-11/h2-6H,7H2,1H3
InChIKeyVWKFUPWZFFLSIH-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.56
Rot. Bonds3

About 5-fluoro-2-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole

5-fluoro-2-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole (PubChem CID 161418433) has the molecular formula C11H10FNO2S2 and a molecular weight of 271.34 g/mol. Its IUPAC name is 5-fluoro-2-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name5-fluoro-2-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole
PubChem CID161418433
Molecular FormulaC11H10FNO2S2
Molecular Weight271.34 g/mol
Exact Mass271.01
IUPAC Name5-fluoro-2-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole
SMILESCc1ccc(S(=O)(=O)Cc2ncc(F)s2)cc1
InChIInChI=1S/C11H10FNO2S2/c1-8-2-4-9(5-3-8)17(14,15)7-11-13-6-10(12)16-11/h2-6H,7H2,1H3
InChIKeyVWKFUPWZFFLSIH-UHFFFAOYSA-N
XLogP2.56
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole?
The IUPAC name of 5-fluoro-2-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole (CID 161418433) is 5-fluoro-2-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole.
What is the SMILES notation for 5-fluoro-2-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole?
The canonical SMILES for 5-fluoro-2-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole is Cc1ccc(S(=O)(=O)Cc2ncc(F)s2)cc1.
What is the InChIKey of 5-fluoro-2-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole?
The InChIKey is VWKFUPWZFFLSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2S2/c1-8-2-4-9(5-3-8)17(14,15)7-11-13-6-10(12)16-11/h2-6H,7H2,1H3.
What are the key properties of 5-fluoro-2-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole?
5-fluoro-2-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole has a molecular weight of 271.34 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole is sourced from PubChem (CID 161418433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).