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

C18H16N2O3S2 — CID 155924849

IUPAC3-(4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(C2SCC(=O)N2c2nc3c(OC)cccc3s2)cc1
InChIInChI=1S/C18H16N2O3S2/c1-22-12-8-6-11(7-9-12)17-20(15(21)10-24-17)18-19-16-13(23-2)4-3-5-14(16)25-18/h3-9,17H,10H2,1-2H3
InChIKeyXWPZTFKRFFYGQR-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.09
Rot. Bonds4

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

3-(4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 155924849) has the molecular formula C18H16N2O3S2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-(4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID155924849
Molecular FormulaC18H16N2O3S2
Molecular Weight372.47 g/mol
Exact Mass372.06
IUPAC Name3-(4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(C2SCC(=O)N2c2nc3c(OC)cccc3s2)cc1
InChIInChI=1S/C18H16N2O3S2/c1-22-12-8-6-11(7-9-12)17-20(15(21)10-24-17)18-19-16-13(23-2)4-3-5-14(16)25-18/h3-9,17H,10H2,1-2H3
InChIKeyXWPZTFKRFFYGQR-UHFFFAOYSA-N
XLogP4.09
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,6-dichlorophenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one
CID 71521936
2-(4-methoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 2839840
3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one
CID 24825214
(2R)-3-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 139069698
3-(1,3-benzothiazol-2-yl)-2-(4-bromophenyl)-1,3-thiazolidin-4-one
CID 3332829
(2R)-3-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
CID 1274265
(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
3-(4-bromophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3858882
3-(4-iodophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 17384306
(2S)-3-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 1274540
2-(4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3866399

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one (CID 155924849) is 3-(4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one is COc1ccc(C2SCC(=O)N2c2nc3c(OC)cccc3s2)cc1.
What is the InChIKey of 3-(4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is XWPZTFKRFFYGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S2/c1-22-12-8-6-11(7-9-12)17-20(15(21)10-24-17)18-19-16-13(23-2)4-3-5-14(16)25-18/h3-9,17H,10H2,1-2H3.
What are the key properties of 3-(4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
3-(4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 372.47 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 155924849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).