2-[(4-fluorophenyl)methyl]-3H-1,2-thiazole 1,1-dioxide

C10H10FNO2S — CID 53240151

IUPAC2-[(4-fluorophenyl)methyl]-3H-1,2-thiazole 1,1-dioxide
SMILESO=S1(=O)C=CCN1Cc1ccc(F)cc1
InChIInChI=1S/C10H10FNO2S/c11-10-4-2-9(3-5-10)8-12-6-1-7-15(12,13)14/h1-5,7H,6,8H2
InChIKeyCGDFTACPJWTIOQ-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.48
Rot. Bonds2

About 2-[(4-fluorophenyl)methyl]-3H-1,2-thiazole 1,1-dioxide

2-[(4-fluorophenyl)methyl]-3H-1,2-thiazole 1,1-dioxide (PubChem CID 53240151) has the molecular formula C10H10FNO2S and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-3H-1,2-thiazole 1,1-dioxide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-3H-1,2-thiazole 1,1-dioxide
PubChem CID53240151
Molecular FormulaC10H10FNO2S
Molecular Weight227.26 g/mol
Exact Mass227.04
IUPAC Name2-[(4-fluorophenyl)methyl]-3H-1,2-thiazole 1,1-dioxide
SMILESO=S1(=O)C=CCN1Cc1ccc(F)cc1
InChIInChI=1S/C10H10FNO2S/c11-10-4-2-9(3-5-10)8-12-6-1-7-15(12,13)14/h1-5,7H,6,8H2
InChIKeyCGDFTACPJWTIOQ-UHFFFAOYSA-N
XLogP1.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(4-fluorophenyl)methyl]-3H-1,2-thiazole 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-3H-1,2-thiazole 1,1-dioxide?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-3H-1,2-thiazole 1,1-dioxide (CID 53240151) is 2-[(4-fluorophenyl)methyl]-3H-1,2-thiazole 1,1-dioxide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-3H-1,2-thiazole 1,1-dioxide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-3H-1,2-thiazole 1,1-dioxide is O=S1(=O)C=CCN1Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-3H-1,2-thiazole 1,1-dioxide?
The InChIKey is CGDFTACPJWTIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2S/c11-10-4-2-9(3-5-10)8-12-6-1-7-15(12,13)14/h1-5,7H,6,8H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-3H-1,2-thiazole 1,1-dioxide?
2-[(4-fluorophenyl)methyl]-3H-1,2-thiazole 1,1-dioxide has a molecular weight of 227.26 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-3H-1,2-thiazole 1,1-dioxide is sourced from PubChem (CID 53240151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).