(2R)-3-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one

C18H18ClNO4S — CID 1274930

IUPAC(2R)-3-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(OC)c1OC
InChIInChI=1S/C18H18ClNO4S/c1-22-14-8-11(9-15(23-2)17(14)24-3)18-20(16(21)10-25-18)13-6-4-12(19)5-7-13/h4-9,18H,10H2,1-3H3/t18-/m1/s1
InChIKeyRRALBUQSJRAPDV-GOSISDBHSA-N
MW379.87 g/mol
LogP4.14
Rot. Bonds5

About (2R)-3-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one

(2R)-3-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 1274930) has the molecular formula C18H18ClNO4S and a molecular weight of 379.87 g/mol. Its IUPAC name is (2R)-3-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2R)-3-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID1274930
Molecular FormulaC18H18ClNO4S
Molecular Weight379.87 g/mol
Exact Mass379.06
IUPAC Name(2R)-3-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(OC)c1OC
InChIInChI=1S/C18H18ClNO4S/c1-22-14-8-11(9-15(23-2)17(14)24-3)18-20(16(21)10-25-18)13-6-4-12(19)5-7-13/h4-9,18H,10H2,1-3H3/t18-/m1/s1
InChIKeyRRALBUQSJRAPDV-GOSISDBHSA-N
XLogP4.14
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-hydroxy-3-methoxyphenyl)-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one
CID 4914726
2-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-4-one
CID 11842587
(2S)-2-(4-chlorophenyl)-3-(4-ethylphenyl)-1,3-thiazolidin-4-one
CID 1274537
2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 4248077
3-(3,4-dimethoxy-5-methylphenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
CID 130395733
3-[4-(4-chlorophenoxy)phenyl]-2-(3-methylphenyl)-1,3-thiazolidin-4-one
CID 25073003
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-4-one
CID 3107629
2-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1,3-thiazolidin-4-one
CID 2987831
(2S)-3-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 1274540
3-[4-(4-chlorophenoxy)phenyl]-2-(3-cyclopropylphenyl)-1,3-thiazolidin-4-one
CID 87722351
3-(2-bromoethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 19075728
4-chloro-N-[3-[(2R)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125852

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2R)-3-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one (CID 1274930) is (2R)-3-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2R)-3-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2R)-3-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one is COc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(OC)c1OC.
What is the InChIKey of (2R)-3-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is RRALBUQSJRAPDV-GOSISDBHSA-N. The full InChI is InChI=1S/C18H18ClNO4S/c1-22-14-8-11(9-15(23-2)17(14)24-3)18-20(16(21)10-25-18)13-6-4-12(19)5-7-13/h4-9,18H,10H2,1-3H3/t18-/m1/s1.
What are the key properties of (2R)-3-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
(2R)-3-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 379.87 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 1274930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).