2-(2,6-dichlorophenyl)-3-(4-methyl-6-phenylpyrimidin-2-yl)-1,3-thiazolidin-4-one

C20H15Cl2N3OS — CID 16728906

IUPAC2-(2,6-dichlorophenyl)-3-(4-methyl-6-phenylpyrimidin-2-yl)-1,3-thiazolidin-4-one
SMILESCc1cc(-c2ccccc2)nc(N2C(=O)CSC2c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C20H15Cl2N3OS/c1-12-10-16(13-6-3-2-4-7-13)24-20(23-12)25-17(26)11-27-19(25)18-14(21)8-5-9-15(18)22/h2-10,19H,11H2,1H3
InChIKeyDJWLQTYNNCVURN-UHFFFAOYSA-N
MW416.33 g/mol
LogP5.54
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-3-(4-methyl-6-phenylpyrimidin-2-yl)-1,3-thiazolidin-4-one

2-(2,6-dichlorophenyl)-3-(4-methyl-6-phenylpyrimidin-2-yl)-1,3-thiazolidin-4-one (PubChem CID 16728906) has the molecular formula C20H15Cl2N3OS and a molecular weight of 416.33 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-3-(4-methyl-6-phenylpyrimidin-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-3-(4-methyl-6-phenylpyrimidin-2-yl)-1,3-thiazolidin-4-one
PubChem CID16728906
Molecular FormulaC20H15Cl2N3OS
Molecular Weight416.33 g/mol
Exact Mass415.03
IUPAC Name2-(2,6-dichlorophenyl)-3-(4-methyl-6-phenylpyrimidin-2-yl)-1,3-thiazolidin-4-one
SMILESCc1cc(-c2ccccc2)nc(N2C(=O)CSC2c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C20H15Cl2N3OS/c1-12-10-16(13-6-3-2-4-7-13)24-20(23-12)25-17(26)11-27-19(25)18-14(21)8-5-9-15(18)22/h2-10,19H,11H2,1H3
InChIKeyDJWLQTYNNCVURN-UHFFFAOYSA-N
XLogP5.54
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.33
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Thiazolidinone, 2-(2,6-dichlorophenyl)-3-(2-pyridinyl)-
CID 486676
4-Thiazolidinone, 2-(2,6-dichlorophenyl)-3-(6-methyl-2-pyridinyl)-
CID 486680
4-Thiazolidinone, 2-(2,6-dichlorophenyl)-3-(4-methyl-2-pyridinyl)-
CID 486682
2-(2-Chloro-6-fluoro-phenyl)-3-(6-methyl-2-pyridyl)thiazolidin-4-one
CID 501040
2-(2,6-Dichlorophenyl)-3-(4,6-dimethyl-2-pyridyl)thiazolidin-4-one
CID 501041
2-(2-Chloro-6-fluoro-phenyl)-3-(4,6-dimethyl-2-pyridyl)thiazolidin-4-one
CID 501042
2-(4-Methyl-6-phenylpyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 722455
1-(3,5-Dichlorophenyl)-3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]pyrrolidine-2,5-dione
CID 2948577
2-(2,6-Dichlorophenyl)-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]thiazolidin-4-one
CID 16728903
2-(2,6-Dichlorophenyl)-3-(4,5,6-trimethylpyrimidin-2-yl) thiazolidin-4-one
CID 16728915
2-(2-Chloro-6-fluoro-phenyl)-3-(4,5,6-trimethylpyrimidin-2-yl)thiazolidin-4-one
CID 16728916
2-(2,6-Difluorophenyl)-3-(4,5,6-trimethylpyrimidin-2-yl)thiazolidin-4-one
CID 16728917

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-3-(4-methyl-6-phenylpyrimidin-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,6-dichlorophenyl)-3-(4-methyl-6-phenylpyrimidin-2-yl)-1,3-thiazolidin-4-one (CID 16728906) is 2-(2,6-dichlorophenyl)-3-(4-methyl-6-phenylpyrimidin-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-3-(4-methyl-6-phenylpyrimidin-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,6-dichlorophenyl)-3-(4-methyl-6-phenylpyrimidin-2-yl)-1,3-thiazolidin-4-one is Cc1cc(-c2ccccc2)nc(N2C(=O)CSC2c2c(Cl)cccc2Cl)n1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-3-(4-methyl-6-phenylpyrimidin-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is DJWLQTYNNCVURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3OS/c1-12-10-16(13-6-3-2-4-7-13)24-20(23-12)25-17(26)11-27-19(25)18-14(21)8-5-9-15(18)22/h2-10,19H,11H2,1H3.
What are the key properties of 2-(2,6-dichlorophenyl)-3-(4-methyl-6-phenylpyrimidin-2-yl)-1,3-thiazolidin-4-one?
2-(2,6-dichlorophenyl)-3-(4-methyl-6-phenylpyrimidin-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 416.33 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-3-(4-methyl-6-phenylpyrimidin-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 16728906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).