3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-hydroxyphenyl)-1,3-thiazolidin-4-one

C18H16N2O3S2 — CID 155925204

IUPAC3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-hydroxyphenyl)-1,3-thiazolidin-4-one
SMILESCCOc1ccc2nc(N3C(=O)CSC3c3ccc(O)cc3)sc2c1
InChIInChI=1S/C18H16N2O3S2/c1-2-23-13-7-8-14-15(9-13)25-18(19-14)20-16(22)10-24-17(20)11-3-5-12(21)6-4-11/h3-9,17,21H,2,10H2,1H3
InChIKeyZUXLPVMTKLVUFD-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.18
Rot. Bonds4

About 3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-hydroxyphenyl)-1,3-thiazolidin-4-one

3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-hydroxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 155925204) has the molecular formula C18H16N2O3S2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-hydroxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-hydroxyphenyl)-1,3-thiazolidin-4-one
PubChem CID155925204
Molecular FormulaC18H16N2O3S2
Molecular Weight372.47 g/mol
Exact Mass372.06
IUPAC Name3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-hydroxyphenyl)-1,3-thiazolidin-4-one
SMILESCCOc1ccc2nc(N3C(=O)CSC3c3ccc(O)cc3)sc2c1
InChIInChI=1S/C18H16N2O3S2/c1-2-23-13-7-8-14-15(9-13)25-18(19-14)20-16(22)10-24-17(20)11-3-5-12(21)6-4-11/h3-9,17,21H,2,10H2,1H3
InChIKeyZUXLPVMTKLVUFD-UHFFFAOYSA-N
XLogP4.18
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one
CID 24825214
(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-(4-chlorophenyl)-3-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-1,3-thiazolidin-4-one
CID 155924706
1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(4-hydroxyphenyl)-4-[hydroxy-(4-propoxyphenyl)methylidene]pyrrolidine-2,3-dione
CID 3425974
(3R)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 9003928
3-(1-benzofuran-2-carbonyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxy-2-(4-hydroxyphenyl)-2H-pyrrol-5-one
CID 4582812
1-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 3751729
3-(1,3-benzothiazol-2-yl)-2-(4-bromophenyl)-1,3-thiazolidin-4-one
CID 3332829
2-(2-fluorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one
CID 11842555
2-(2,4-dichlorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one
CID 4133047
1-(6-ethoxy-1,3-benzothiazol-2-yl)azetidine-3-thiol
CID 142660167

Frequently Asked Questions

What is the IUPAC name of 3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-hydroxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-hydroxyphenyl)-1,3-thiazolidin-4-one (CID 155925204) is 3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-hydroxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-hydroxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-hydroxyphenyl)-1,3-thiazolidin-4-one is CCOc1ccc2nc(N3C(=O)CSC3c3ccc(O)cc3)sc2c1.
What is the InChIKey of 3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-hydroxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is ZUXLPVMTKLVUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S2/c1-2-23-13-7-8-14-15(9-13)25-18(19-14)20-16(22)10-24-17(20)11-3-5-12(21)6-4-11/h3-9,17,21H,2,10H2,1H3.
What are the key properties of 3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-hydroxyphenyl)-1,3-thiazolidin-4-one?
3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-hydroxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 372.47 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-hydroxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 155925204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).