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

C19H18N2O3S2 — CID 24825214

IUPAC3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCCOc1ccc2nc(N3C(=O)CSC3c3cccc(OC)c3)sc2c1
InChIInChI=1S/C19H18N2O3S2/c1-3-24-14-7-8-15-16(10-14)26-19(20-15)21-17(22)11-25-18(21)12-5-4-6-13(9-12)23-2/h4-10,18H,3,11H2,1-2H3
InChIKeyTWIUWFULDOCRTK-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.48
Rot. Bonds5

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

3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 24825214) has the molecular formula C19H18N2O3S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID24825214
Molecular FormulaC19H18N2O3S2
Molecular Weight386.50 g/mol
Exact Mass386.08
IUPAC Name3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCCOc1ccc2nc(N3C(=O)CSC3c3cccc(OC)c3)sc2c1
InChIInChI=1S/C19H18N2O3S2/c1-3-24-14-7-8-15-16(10-14)26-19(20-15)21-17(22)11-25-18(21)12-5-4-6-13(9-12)23-2/h4-10,18H,3,11H2,1-2H3
InChIKeyTWIUWFULDOCRTK-UHFFFAOYSA-N
XLogP4.48
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-hydroxyphenyl)-1,3-thiazolidin-4-one
CID 155925204
2-(2-ethoxyphenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one
CID 11842556
(2S)-2-(2-ethoxyphenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one
CID 27566916
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)-4-[hydroxy-(3-methoxyphenyl)methylidene]-5-(3-methoxyphenyl)pyrrolidine-2,3-dione
CID 5208844
(4E)-5-(3-ethoxyphenyl)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
CID 6118196
1-(3-ethoxyphenyl)-2-(6-methoxy-1,3-benzothiazol-2-yl)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78256556
4-[(3-ethoxyphenyl)-hydroxymethylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-phenylpyrrolidine-2,3-dione
CID 5118684
2-(3-ethoxyphenyl)-3-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazolidin-4-one
CID 3796046
(4E)-4-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(3-methoxyphenyl)pyrrolidine-2,3-dione
CID 6235417
1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(4-ethoxyphenyl)-4-[hydroxy-(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione
CID 5120184

Frequently Asked Questions

What is the IUPAC name of 3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one (CID 24825214) is 3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one is CCOc1ccc2nc(N3C(=O)CSC3c3cccc(OC)c3)sc2c1.
What is the InChIKey of 3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is TWIUWFULDOCRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S2/c1-3-24-14-7-8-15-16(10-14)26-19(20-15)21-17(22)11-25-18(21)12-5-4-6-13(9-12)23-2/h4-10,18H,3,11H2,1-2H3.
What are the key properties of 3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one?
3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 386.50 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 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-(3-methoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 24825214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).