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

C17H14N2O2S2 — CID 3156101

IUPAC3-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(C2SCC(=O)N2c2nc3ccccc3s2)cc1
InChIInChI=1S/C17H14N2O2S2/c1-21-12-8-6-11(7-9-12)16-19(15(20)10-22-16)17-18-13-4-2-3-5-14(13)23-17/h2-9,16H,10H2,1H3
InChIKeyOPOFGSVKVBXFMJ-UHFFFAOYSA-N
MW342.45 g/mol
LogP4.08
Rot. Bonds3

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

3-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 3156101) has the molecular formula C17H14N2O2S2 and a molecular weight of 342.45 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID3156101
Molecular FormulaC17H14N2O2S2
Molecular Weight342.45 g/mol
Exact Mass342.05
IUPAC Name3-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(C2SCC(=O)N2c2nc3ccccc3s2)cc1
InChIInChI=1S/C17H14N2O2S2/c1-21-12-8-6-11(7-9-12)16-19(15(20)10-22-16)17-18-13-4-2-3-5-14(13)23-17/h2-9,16H,10H2,1H3
InChIKeyOPOFGSVKVBXFMJ-UHFFFAOYSA-N
XLogP4.08
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one (CID 3156101) is 3-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one is COc1ccc(C2SCC(=O)N2c2nc3ccccc3s2)cc1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is OPOFGSVKVBXFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S2/c1-21-12-8-6-11(7-9-12)16-19(15(20)10-22-16)17-18-13-4-2-3-5-14(13)23-17/h2-9,16H,10H2,1H3.
What are the key properties of 3-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
3-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 342.45 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3156101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).