5-(3-fluorophenyl)-2-imino-1,3-thiazolidin-4-one

C9H7FN2OS — CID 138978178

IUPAC5-(3-fluorophenyl)-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1/NC(=O)C(c2cccc(F)c2)S1
InChIInChI=1S/C9H7FN2OS/c10-6-3-1-2-5(4-6)7-8(13)12-9(11)14-7/h1-4,7H,(H2,11,12,13)
InChIKeyHTCIXDNFYVVAQC-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.66
Rot. Bonds1

About 5-(3-fluorophenyl)-2-imino-1,3-thiazolidin-4-one

5-(3-fluorophenyl)-2-imino-1,3-thiazolidin-4-one (PubChem CID 138978178) has the molecular formula C9H7FN2OS and a molecular weight of 210.23 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-2-imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-(3-fluorophenyl)-2-imino-1,3-thiazolidin-4-one
PubChem CID138978178
Molecular FormulaC9H7FN2OS
Molecular Weight210.23 g/mol
Exact Mass210.03
IUPAC Name5-(3-fluorophenyl)-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1/NC(=O)C(c2cccc(F)c2)S1
InChIInChI=1S/C9H7FN2OS/c10-6-3-1-2-5(4-6)7-8(13)12-9(11)14-7/h1-4,7H,(H2,11,12,13)
InChIKeyHTCIXDNFYVVAQC-UHFFFAOYSA-N
XLogP1.66
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-2-imino-1,3-thiazolidin-4-one?
The IUPAC name of 5-(3-fluorophenyl)-2-imino-1,3-thiazolidin-4-one (CID 138978178) is 5-(3-fluorophenyl)-2-imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-(3-fluorophenyl)-2-imino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-(3-fluorophenyl)-2-imino-1,3-thiazolidin-4-one is [H]/N=C1/NC(=O)C(c2cccc(F)c2)S1.
What is the InChIKey of 5-(3-fluorophenyl)-2-imino-1,3-thiazolidin-4-one?
The InChIKey is HTCIXDNFYVVAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2OS/c10-6-3-1-2-5(4-6)7-8(13)12-9(11)14-7/h1-4,7H,(H2,11,12,13).
What are the key properties of 5-(3-fluorophenyl)-2-imino-1,3-thiazolidin-4-one?
5-(3-fluorophenyl)-2-imino-1,3-thiazolidin-4-one has a molecular weight of 210.23 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-2-imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 138978178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).