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

C17H12Cl2N2O2S2 — CID 71521936

IUPAC2-(2,6-dichlorophenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one
SMILESCOc1cccc2sc(N3C(=O)CSC3c3c(Cl)cccc3Cl)nc12
InChIInChI=1S/C17H12Cl2N2O2S2/c1-23-11-6-3-7-12-15(11)20-17(25-12)21-13(22)8-24-16(21)14-9(18)4-2-5-10(14)19/h2-7,16H,8H2,1H3
InChIKeyQYHFUWPDBAVADE-UHFFFAOYSA-N
MW411.34 g/mol
LogP5.39
Rot. Bonds3

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

2-(2,6-dichlorophenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one (PubChem CID 71521936) has the molecular formula C17H12Cl2N2O2S2 and a molecular weight of 411.34 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one
PubChem CID71521936
Molecular FormulaC17H12Cl2N2O2S2
Molecular Weight411.34 g/mol
Exact Mass409.97
IUPAC Name2-(2,6-dichlorophenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one
SMILESCOc1cccc2sc(N3C(=O)CSC3c3c(Cl)cccc3Cl)nc12
InChIInChI=1S/C17H12Cl2N2O2S2/c1-23-11-6-3-7-12-15(11)20-17(25-12)21-13(22)8-24-16(21)14-9(18)4-2-5-10(14)19/h2-7,16H,8H2,1H3
InChIKeyQYHFUWPDBAVADE-UHFFFAOYSA-N
XLogP5.39
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.34
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,6-dichlorophenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one (CID 71521936) is 2-(2,6-dichlorophenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,6-dichlorophenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one is COc1cccc2sc(N3C(=O)CSC3c3c(Cl)cccc3Cl)nc12.
What is the InChIKey of 2-(2,6-dichlorophenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is QYHFUWPDBAVADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O2S2/c1-23-11-6-3-7-12-15(11)20-17(25-12)21-13(22)8-24-16(21)14-9(18)4-2-5-10(14)19/h2-7,16H,8H2,1H3.
What are the key properties of 2-(2,6-dichlorophenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one?
2-(2,6-dichlorophenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 411.34 g/mol, XLogP of 5.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 71521936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).