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

C17H12Cl2N2O2S2 — CID 4133047

IUPAC2-(2,4-dichlorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one
SMILESCOc1ccc2nc(N3C(=O)CSC3c3ccc(Cl)cc3Cl)sc2c1
InChIInChI=1S/C17H12Cl2N2O2S2/c1-23-10-3-5-13-14(7-10)25-17(20-13)21-15(22)8-24-16(21)11-4-2-9(18)6-12(11)19/h2-7,16H,8H2,1H3
InChIKeyQJEVZBQBNMBNIU-UHFFFAOYSA-N
MW411.34 g/mol
LogP5.39
Rot. Bonds3

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

2-(2,4-dichlorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one (PubChem CID 4133047) has the molecular formula C17H12Cl2N2O2S2 and a molecular weight of 411.34 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one
PubChem CID4133047
Molecular FormulaC17H12Cl2N2O2S2
Molecular Weight411.34 g/mol
Exact Mass409.97
IUPAC Name2-(2,4-dichlorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one
SMILESCOc1ccc2nc(N3C(=O)CSC3c3ccc(Cl)cc3Cl)sc2c1
InChIInChI=1S/C17H12Cl2N2O2S2/c1-23-10-3-5-13-14(7-10)25-17(20-13)21-15(22)8-24-16(21)11-4-2-9(18)6-12(11)19/h2-7,16H,8H2,1H3
InChIKeyQJEVZBQBNMBNIU-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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Related Compounds

2-(2-fluorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one
CID 11842555
2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 4248077
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
3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one
CID 24825214
2-(4-chlorophenyl)-3-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-1,3-thiazolidin-4-one
CID 155924706
3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-hydroxyphenyl)-1,3-thiazolidin-4-one
CID 155925204
2-(2-chloro-7-methoxyquinolin-3-yl)-3-(2,6-dichlorophenyl)-1,3-thiazolidin-4-one
CID 10252653
4-(chloromethyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-2-one
CID 168507489
2-(2-chloro-6-fluorophenyl)-3-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3-thiazolidin-4-one
CID 155924372
4-benzoyl-5-(3-chlorophenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
CID 3383735
(4E,5R)-5-(4-chlorophenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
CID 98316490

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,4-dichlorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one (CID 4133047) is 2-(2,4-dichlorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,4-dichlorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one is COc1ccc2nc(N3C(=O)CSC3c3ccc(Cl)cc3Cl)sc2c1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is QJEVZBQBNMBNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O2S2/c1-23-10-3-5-13-14(7-10)25-17(20-13)21-15(22)8-24-16(21)11-4-2-9(18)6-12(11)19/h2-7,16H,8H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one?
2-(2,4-dichlorophenyl)-3-(6-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-(2,4-dichlorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 4133047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).