2-(4-fluorophenyl)-3-[2-methyl-4-(sulfinocarbamoyl)phenyl]-4-oxo-1,3-thiazolidine

C17H15FN2O4S2 — CID 130428082

IUPAC2-(4-fluorophenyl)-3-[2-methyl-4-(sulfinocarbamoyl)phenyl]-4-oxo-1,3-thiazolidine
SMILESCc1cc(C(=O)NS(=O)O)ccc1N1C(=O)CSC1c1ccc(F)cc1
InChIInChI=1S/C17H15FN2O4S2/c1-10-8-12(16(22)19-26(23)24)4-7-14(10)20-15(21)9-25-17(20)11-2-5-13(18)6-3-11/h2-8,17H,9H2,1H3,(H,19,22)(H,23,24)
InChIKeyOZOPWTOIEVKKGU-UHFFFAOYSA-N
MW394.45 g/mol
LogP2.78
Rot. Bonds4

About 2-(4-fluorophenyl)-3-[2-methyl-4-(sulfinocarbamoyl)phenyl]-4-oxo-1,3-thiazolidine

2-(4-fluorophenyl)-3-[2-methyl-4-(sulfinocarbamoyl)phenyl]-4-oxo-1,3-thiazolidine (PubChem CID 130428082) has the molecular formula C17H15FN2O4S2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-[2-methyl-4-(sulfinocarbamoyl)phenyl]-4-oxo-1,3-thiazolidine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-[2-methyl-4-(sulfinocarbamoyl)phenyl]-4-oxo-1,3-thiazolidine
PubChem CID130428082
Molecular FormulaC17H15FN2O4S2
Molecular Weight394.45 g/mol
Exact Mass394.05
IUPAC Name2-(4-fluorophenyl)-3-[2-methyl-4-(sulfinocarbamoyl)phenyl]-4-oxo-1,3-thiazolidine
SMILESCc1cc(C(=O)NS(=O)O)ccc1N1C(=O)CSC1c1ccc(F)cc1
InChIInChI=1S/C17H15FN2O4S2/c1-10-8-12(16(22)19-26(23)24)4-7-14(10)20-15(21)9-25-17(20)11-2-5-13(18)6-3-11/h2-8,17H,9H2,1H3,(H,19,22)(H,23,24)
InChIKeyOZOPWTOIEVKKGU-UHFFFAOYSA-N
XLogP2.78
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-[2-methyl-4-(sulfinocarbamoyl)phenyl]-4-oxo-1,3-thiazolidine?
The IUPAC name of 2-(4-fluorophenyl)-3-[2-methyl-4-(sulfinocarbamoyl)phenyl]-4-oxo-1,3-thiazolidine (CID 130428082) is 2-(4-fluorophenyl)-3-[2-methyl-4-(sulfinocarbamoyl)phenyl]-4-oxo-1,3-thiazolidine.
What is the SMILES notation for 2-(4-fluorophenyl)-3-[2-methyl-4-(sulfinocarbamoyl)phenyl]-4-oxo-1,3-thiazolidine?
The canonical SMILES for 2-(4-fluorophenyl)-3-[2-methyl-4-(sulfinocarbamoyl)phenyl]-4-oxo-1,3-thiazolidine is Cc1cc(C(=O)NS(=O)O)ccc1N1C(=O)CSC1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-[2-methyl-4-(sulfinocarbamoyl)phenyl]-4-oxo-1,3-thiazolidine?
The InChIKey is OZOPWTOIEVKKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O4S2/c1-10-8-12(16(22)19-26(23)24)4-7-14(10)20-15(21)9-25-17(20)11-2-5-13(18)6-3-11/h2-8,17H,9H2,1H3,(H,19,22)(H,23,24).
What are the key properties of 2-(4-fluorophenyl)-3-[2-methyl-4-(sulfinocarbamoyl)phenyl]-4-oxo-1,3-thiazolidine?
2-(4-fluorophenyl)-3-[2-methyl-4-(sulfinocarbamoyl)phenyl]-4-oxo-1,3-thiazolidine has a molecular weight of 394.45 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-[2-methyl-4-(sulfinocarbamoyl)phenyl]-4-oxo-1,3-thiazolidine is sourced from PubChem (CID 130428082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).