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

C19H18N2O3S2 — CID 27566916

IUPAC(2S)-2-(2-ethoxyphenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one
SMILESCCOc1ccccc1[C@@H]1SCC(=O)N1c1nc2ccc(OC)cc2s1
InChIInChI=1S/C19H18N2O3S2/c1-3-24-15-7-5-4-6-13(15)18-21(17(22)11-25-18)19-20-14-9-8-12(23-2)10-16(14)26-19/h4-10,18H,3,11H2,1-2H3/t18-/m0/s1
InChIKeyBJQBXEUNVAFLAV-SFHVURJKSA-N
MW386.50 g/mol
LogP4.48
Rot. Bonds5

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

(2S)-2-(2-ethoxyphenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one (PubChem CID 27566916) has the molecular formula C19H18N2O3S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is (2S)-2-(2-ethoxyphenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2S)-2-(2-ethoxyphenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one
PubChem CID27566916
Molecular FormulaC19H18N2O3S2
Molecular Weight386.50 g/mol
Exact Mass386.08
IUPAC Name(2S)-2-(2-ethoxyphenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one
SMILESCCOc1ccccc1[C@@H]1SCC(=O)N1c1nc2ccc(OC)cc2s1
InChIInChI=1S/C19H18N2O3S2/c1-3-24-15-7-5-4-6-13(15)18-21(17(22)11-25-18)19-20-14-9-8-12(23-2)10-16(14)26-19/h4-10,18H,3,11H2,1-2H3/t18-/m0/s1
InChIKeyBJQBXEUNVAFLAV-SFHVURJKSA-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

2-(2-ethoxyphenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one
CID 11842556
2-(2-fluorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one
CID 11842555
3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one
CID 24825214
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-(4-hydroxyphenyl)-1,3-thiazolidin-4-one
CID 155925204
2-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-6-methoxy-1,3-benzothiazole
CID 16941357
2-(2-butoxyphenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-2H-pyrrol-5-one
CID 4734668
2-(2-chloro-7-methoxyquinolin-3-yl)-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one
CID 10692406
3-(4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 155924849
(4Z)-5-[2-(2-hydroxyethoxy)phenyl]-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
CID 58365363
(4R)-4-(2-ethoxy-3-methoxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136758578
2-(2,3-dimethoxyphenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxy-2H-pyrrol-5-one
CID 4734734

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-ethoxyphenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of (2S)-2-(2-ethoxyphenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one (CID 27566916) is (2S)-2-(2-ethoxyphenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2S)-2-(2-ethoxyphenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2S)-2-(2-ethoxyphenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one is CCOc1ccccc1[C@@H]1SCC(=O)N1c1nc2ccc(OC)cc2s1.
What is the InChIKey of (2S)-2-(2-ethoxyphenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is BJQBXEUNVAFLAV-SFHVURJKSA-N. The full InChI is InChI=1S/C19H18N2O3S2/c1-3-24-15-7-5-4-6-13(15)18-21(17(22)11-25-18)19-20-14-9-8-12(23-2)10-16(14)26-19/h4-10,18H,3,11H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-2-(2-ethoxyphenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one?
(2S)-2-(2-ethoxyphenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-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 (2S)-2-(2-ethoxyphenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 27566916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).