3-(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-4-one

C17H16ClNO3S — CID 4259693

IUPAC3-(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cccc(C2SCC(=O)N2c2ccc(Cl)cc2)c1OC
InChIInChI=1S/C17H16ClNO3S/c1-21-14-5-3-4-13(16(14)22-2)17-19(15(20)10-23-17)12-8-6-11(18)7-9-12/h3-9,17H,10H2,1-2H3
InChIKeyUSKBADUQYSXSCK-UHFFFAOYSA-N
MW349.84 g/mol
LogP4.14
Rot. Bonds4

About 3-(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-4-one

3-(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 4259693) has the molecular formula C17H16ClNO3S and a molecular weight of 349.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID4259693
Molecular FormulaC17H16ClNO3S
Molecular Weight349.84 g/mol
Exact Mass349.05
IUPAC Name3-(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cccc(C2SCC(=O)N2c2ccc(Cl)cc2)c1OC
InChIInChI=1S/C17H16ClNO3S/c1-21-14-5-3-4-13(16(14)22-2)17-19(15(20)10-23-17)12-8-6-11(18)7-9-12/h3-9,17H,10H2,1-2H3
InChIKeyUSKBADUQYSXSCK-UHFFFAOYSA-N
XLogP4.14
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-4-one (CID 4259693) is 3-(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-4-one is COc1cccc(C2SCC(=O)N2c2ccc(Cl)cc2)c1OC.
What is the InChIKey of 3-(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is USKBADUQYSXSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3S/c1-21-14-5-3-4-13(16(14)22-2)17-19(15(20)10-23-17)12-8-6-11(18)7-9-12/h3-9,17H,10H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-4-one?
3-(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 349.84 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 4259693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).