2-(2-fluorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one

C17H13FN2O2S2 — CID 11842555

IUPAC2-(2-fluorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one
SMILESCOc1ccc2nc(N3C(=O)CSC3c3ccccc3F)sc2c1
InChIInChI=1S/C17H13FN2O2S2/c1-22-10-6-7-13-14(8-10)24-17(19-13)20-15(21)9-23-16(20)11-4-2-3-5-12(11)18/h2-8,16H,9H2,1H3
InChIKeyAMIUSWDOAGDUCF-UHFFFAOYSA-N
MW360.44 g/mol
LogP4.22
Rot. Bonds3

About 2-(2-fluorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one

2-(2-fluorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one (PubChem CID 11842555) has the molecular formula C17H13FN2O2S2 and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one
PubChem CID11842555
Molecular FormulaC17H13FN2O2S2
Molecular Weight360.44 g/mol
Exact Mass360.04
IUPAC Name2-(2-fluorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one
SMILESCOc1ccc2nc(N3C(=O)CSC3c3ccccc3F)sc2c1
InChIInChI=1S/C17H13FN2O2S2/c1-22-10-6-7-13-14(8-10)24-17(19-13)20-15(21)9-23-16(20)11-4-2-3-5-12(11)18/h2-8,16H,9H2,1H3
InChIKeyAMIUSWDOAGDUCF-UHFFFAOYSA-N
XLogP4.22
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(2-ethoxyphenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one
CID 27566916
2-(2-ethoxyphenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one
CID 11842556
2-(2,4-dichlorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one
CID 4133047
3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one
CID 24825214
(4R)-4-(2-fluorophenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136793559
2-(4-chlorophenyl)-3-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-1,3-thiazolidin-4-one
CID 155924706
(4E,5R)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
CID 98386416
2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methoxy-1,3-benzothiazole
CID 121081547
3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-hydroxyphenyl)-1,3-thiazolidin-4-one
CID 155925204
(4E,5S)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(2-fluorophenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
CID 98339299
1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(2-fluorophenyl)-4-[hydroxy-(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione
CID 5208858
5-(2-fluorophenyl)-4-[hydroxy-(4-propoxyphenyl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
CID 3417314

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-fluorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one (CID 11842555) is 2-(2-fluorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-fluorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-fluorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one is COc1ccc2nc(N3C(=O)CSC3c3ccccc3F)sc2c1.
What is the InChIKey of 2-(2-fluorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is AMIUSWDOAGDUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2S2/c1-22-10-6-7-13-14(8-10)24-17(19-13)20-15(21)9-23-16(20)11-4-2-3-5-12(11)18/h2-8,16H,9H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one?
2-(2-fluorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 360.44 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 11842555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).