2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-5-[(2-fluoro-4-methylphenyl)methyl]phenol

C16H17FN2O3S — CID 141172592

IUPAC2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-5-[(2-fluoro-4-methylphenyl)methyl]phenol
SMILESCc1ccc(Cc2ccc(N3CCNS3(=O)=O)c(O)c2)c(F)c1
InChIInChI=1S/C16H17FN2O3S/c1-11-2-4-13(14(17)8-11)9-12-3-5-15(16(20)10-12)19-7-6-18-23(19,21)22/h2-5,8,10,18,20H,6-7,9H2,1H3
InChIKeyMXEHKSHXUCGTLS-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.08
Rot. Bonds3

About 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-5-[(2-fluoro-4-methylphenyl)methyl]phenol

2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-5-[(2-fluoro-4-methylphenyl)methyl]phenol (PubChem CID 141172592) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-5-[(2-fluoro-4-methylphenyl)methyl]phenol.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-5-[(2-fluoro-4-methylphenyl)methyl]phenol
PubChem CID141172592
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC Name2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-5-[(2-fluoro-4-methylphenyl)methyl]phenol
SMILESCc1ccc(Cc2ccc(N3CCNS3(=O)=O)c(O)c2)c(F)c1
InChIInChI=1S/C16H17FN2O3S/c1-11-2-4-13(14(17)8-11)9-12-3-5-15(16(20)10-12)19-7-6-18-23(19,21)22/h2-5,8,10,18,20H,6-7,9H2,1H3
InChIKeyMXEHKSHXUCGTLS-UHFFFAOYSA-N
XLogP2.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-5-[(2-fluoro-4-methylphenyl)methyl]phenol with MolForge

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

Launch Full Analysis

Related Compounds

5-[2-Fluoro-6-hydroxy-4-[1-(3-methylbutyl)azetidin-3-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 176332046
1,2,5-Thiadiazolidin-3-one, 5-[4-(cyclohexylmethyl)-2-fluoro-6-hydroxyphenyl]-, 1,1-dioxide
CID 24856341
5-[1-Fluoro-3-hydroxy-7-(3-methylbutylamino)naphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 155103439
5-[4-[[[(1S)-3,3-dimethylcyclohexyl]amino]methyl]-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 169119843
5-[4-[[(4,4-Dimethylcyclohexyl)-methylamino]methyl]-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 169119867
5-[4-[[(4,4-Dimethylcyclohexyl)amino]methyl]-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 169119921
5-[4-[(4-Butylpiperidin-1-yl)methyl]-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 169119928
5-[4-[(Cyclohexylamino)methyl]-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 169120016
US20250257059, Example 19
CID 169241976
US20250257059, Example 27
CID 169242033
5-[4-[2-[(3R)-3-ethylpyrrolidin-1-yl]ethyl]-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 169242061
US20250257059, Example 55
CID 169242092

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-5-[(2-fluoro-4-methylphenyl)methyl]phenol?
The IUPAC name of 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-5-[(2-fluoro-4-methylphenyl)methyl]phenol (CID 141172592) is 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-5-[(2-fluoro-4-methylphenyl)methyl]phenol.
What is the SMILES notation for 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-5-[(2-fluoro-4-methylphenyl)methyl]phenol?
The canonical SMILES for 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-5-[(2-fluoro-4-methylphenyl)methyl]phenol is Cc1ccc(Cc2ccc(N3CCNS3(=O)=O)c(O)c2)c(F)c1.
What is the InChIKey of 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-5-[(2-fluoro-4-methylphenyl)methyl]phenol?
The InChIKey is MXEHKSHXUCGTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c1-11-2-4-13(14(17)8-11)9-12-3-5-15(16(20)10-12)19-7-6-18-23(19,21)22/h2-5,8,10,18,20H,6-7,9H2,1H3.
What are the key properties of 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-5-[(2-fluoro-4-methylphenyl)methyl]phenol?
2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-5-[(2-fluoro-4-methylphenyl)methyl]phenol has a molecular weight of 336.39 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-5-[(2-fluoro-4-methylphenyl)methyl]phenol is sourced from PubChem (CID 141172592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).