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

C9H7FN2OS — CID 135481328

IUPAC2-(3-fluorophenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/c2cccc(F)c2)N1
InChIInChI=1S/C9H7FN2OS/c10-6-2-1-3-7(4-6)11-9-12-8(13)5-14-9/h1-4H,5H2,(H,11,12,13)
InChIKeyXFEVSQFSSYRMHN-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.68
Rot. Bonds1

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

2-(3-fluorophenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135481328) has the molecular formula C9H7FN2OS and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(3-fluorophenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)imino-1,3-thiazolidin-4-one
PubChem CID135481328
Molecular FormulaC9H7FN2OS
Molecular Weight210.23 g/mol
Exact Mass210.03
IUPAC Name2-(3-fluorophenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/c2cccc(F)c2)N1
InChIInChI=1S/C9H7FN2OS/c10-6-2-1-3-7(4-6)11-9-12-8(13)5-14-9/h1-4H,5H2,(H,11,12,13)
InChIKeyXFEVSQFSSYRMHN-UHFFFAOYSA-N
XLogP1.68
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Phenylamino)-4,5-dihydro-1,3-thiazol-4-one
CID 135406265
2-p-Tolylamino-thiazol-4-one
CID 135411781
(5R)-2-[(2-Fluorophenyl)amino]-5-isopropyl-1,3-thiazol-4(5H)-one
CID 135566336
2-[(4-Fluorophenyl)amino]-4,5-dihydro-1,3-thiazol-4-one
CID 135426081
2-m-Tolylamino-thiazol-4-one
CID 135415496
4-(Phenylamino)-2(5H)-thiazolone
CID 135412584
2-o-Tolylamino-thiazol-4-one
CID 135415405
2-(3-Trifluoromethyl-phenylamino)-thiazol-4-one
CID 135448709
(Z)-4-((4-fluorophenyl)imino)thiazolidin-2-one
CID 135399109
2-[(Z)-4-Ethyl-phenylimino]-thiazolidin-4-one
CID 135468637
2-(tert-butylamino)-2-oxoethyl N'-cyano-N-(3-fluorophenyl)carbamimidothioate
CID 1774136
2-Anilino-5-isopropyl-thiazol-4-one
CID 135425127

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-fluorophenyl)imino-1,3-thiazolidin-4-one (CID 135481328) is 2-(3-fluorophenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-fluorophenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-fluorophenyl)imino-1,3-thiazolidin-4-one is O=C1CS/C(=N/c2cccc(F)c2)N1.
What is the InChIKey of 2-(3-fluorophenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is XFEVSQFSSYRMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2OS/c10-6-2-1-3-7(4-6)11-9-12-8(13)5-14-9/h1-4H,5H2,(H,11,12,13).
What are the key properties of 2-(3-fluorophenyl)imino-1,3-thiazolidin-4-one?
2-(3-fluorophenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 210.23 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135481328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).