5-(2-fluoro-6-hydroxy-4-methylphenyl)-1,1-dioxo-1,2,5-thiadiazolidine-3-carbaldehyde

C10H11FN2O4S — CID 174569002

IUPAC5-(2-fluoro-6-hydroxy-4-methylphenyl)-1,1-dioxo-1,2,5-thiadiazolidine-3-carbaldehyde
SMILESCc1cc(O)c(N2CC(C=O)NS2(=O)=O)c(F)c1
InChIInChI=1S/C10H11FN2O4S/c1-6-2-8(11)10(9(15)3-6)13-4-7(5-14)12-18(13,16)17/h2-3,5,7,12,15H,4H2,1H3
InChIKeySOWLGFCXVHYIKF-UHFFFAOYSA-N
MW274.27 g/mol
LogP0.06
Rot. Bonds2

About 5-(2-fluoro-6-hydroxy-4-methylphenyl)-1,1-dioxo-1,2,5-thiadiazolidine-3-carbaldehyde

5-(2-fluoro-6-hydroxy-4-methylphenyl)-1,1-dioxo-1,2,5-thiadiazolidine-3-carbaldehyde (PubChem CID 174569002) has the molecular formula C10H11FN2O4S and a molecular weight of 274.27 g/mol. Its IUPAC name is 5-(2-fluoro-6-hydroxy-4-methylphenyl)-1,1-dioxo-1,2,5-thiadiazolidine-3-carbaldehyde.

Molecular Properties

Compound Name5-(2-fluoro-6-hydroxy-4-methylphenyl)-1,1-dioxo-1,2,5-thiadiazolidine-3-carbaldehyde
PubChem CID174569002
Molecular FormulaC10H11FN2O4S
Molecular Weight274.27 g/mol
Exact Mass274.04
IUPAC Name5-(2-fluoro-6-hydroxy-4-methylphenyl)-1,1-dioxo-1,2,5-thiadiazolidine-3-carbaldehyde
SMILESCc1cc(O)c(N2CC(C=O)NS2(=O)=O)c(F)c1
InChIInChI=1S/C10H11FN2O4S/c1-6-2-8(11)10(9(15)3-6)13-4-7(5-14)12-18(13,16)17/h2-3,5,7,12,15H,4H2,1H3
InChIKeySOWLGFCXVHYIKF-UHFFFAOYSA-N
XLogP0.06
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-6-hydroxy-4-methylphenyl)-1,1-dioxo-1,2,5-thiadiazolidine-3-carbaldehyde?
The IUPAC name of 5-(2-fluoro-6-hydroxy-4-methylphenyl)-1,1-dioxo-1,2,5-thiadiazolidine-3-carbaldehyde (CID 174569002) is 5-(2-fluoro-6-hydroxy-4-methylphenyl)-1,1-dioxo-1,2,5-thiadiazolidine-3-carbaldehyde.
What is the SMILES notation for 5-(2-fluoro-6-hydroxy-4-methylphenyl)-1,1-dioxo-1,2,5-thiadiazolidine-3-carbaldehyde?
The canonical SMILES for 5-(2-fluoro-6-hydroxy-4-methylphenyl)-1,1-dioxo-1,2,5-thiadiazolidine-3-carbaldehyde is Cc1cc(O)c(N2CC(C=O)NS2(=O)=O)c(F)c1.
What is the InChIKey of 5-(2-fluoro-6-hydroxy-4-methylphenyl)-1,1-dioxo-1,2,5-thiadiazolidine-3-carbaldehyde?
The InChIKey is SOWLGFCXVHYIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O4S/c1-6-2-8(11)10(9(15)3-6)13-4-7(5-14)12-18(13,16)17/h2-3,5,7,12,15H,4H2,1H3.
What are the key properties of 5-(2-fluoro-6-hydroxy-4-methylphenyl)-1,1-dioxo-1,2,5-thiadiazolidine-3-carbaldehyde?
5-(2-fluoro-6-hydroxy-4-methylphenyl)-1,1-dioxo-1,2,5-thiadiazolidine-3-carbaldehyde has a molecular weight of 274.27 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-6-hydroxy-4-methylphenyl)-1,1-dioxo-1,2,5-thiadiazolidine-3-carbaldehyde is sourced from PubChem (CID 174569002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).