(2R)-2-[5-(2,5-dichlorophenyl)furan-2-yl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one

C23H21Cl2NO4S — CID 34360039

IUPAC(2R)-2-[5-(2,5-dichlorophenyl)furan-2-yl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one
SMILESCOc1ccc(CCN2C(=O)CS[C@@H]2c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1OC
InChIInChI=1S/C23H21Cl2NO4S/c1-28-19-6-3-14(11-21(19)29-2)9-10-26-22(27)13-31-23(26)20-8-7-18(30-20)16-12-15(24)4-5-17(16)25/h3-8,11-12,23H,9-10,13H2,1-2H3/t23-/m1/s1
InChIKeyXSBSHKSPVPDVRF-HSZRJFAPSA-N
MW478.40 g/mol
LogP6.09
Rot. Bonds7

About (2R)-2-[5-(2,5-dichlorophenyl)furan-2-yl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one

(2R)-2-[5-(2,5-dichlorophenyl)furan-2-yl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one (PubChem CID 34360039) has the molecular formula C23H21Cl2NO4S and a molecular weight of 478.40 g/mol. Its IUPAC name is (2R)-2-[5-(2,5-dichlorophenyl)furan-2-yl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2R)-2-[5-(2,5-dichlorophenyl)furan-2-yl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one
PubChem CID34360039
Molecular FormulaC23H21Cl2NO4S
Molecular Weight478.40 g/mol
Exact Mass477.06
IUPAC Name(2R)-2-[5-(2,5-dichlorophenyl)furan-2-yl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one
SMILESCOc1ccc(CCN2C(=O)CS[C@@H]2c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1OC
InChIInChI=1S/C23H21Cl2NO4S/c1-28-19-6-3-14(11-21(19)29-2)9-10-26-22(27)13-31-23(26)20-8-7-18(30-20)16-12-15(24)4-5-17(16)25/h3-8,11-12,23H,9-10,13H2,1-2H3/t23-/m1/s1
InChIKeyXSBSHKSPVPDVRF-HSZRJFAPSA-N
XLogP6.09
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.40
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 7107838
N-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide
CID 3755052
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3494634
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazolidin-4-one
CID 3713105
(2S)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-nitrophenyl)-1,3-thiazolidin-4-one
CID 1121586
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-propyl-1,3-thiazolidin-4-one
CID 3337931
2-(dimethoxymethyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 5150741
2-(furan-3-yl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 3820652
N-(5-chloro-2-methoxyphenyl)-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 5066710
3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-pyridin-4-yl-1,3-thiazolidin-4-one
CID 4586715
3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one
CID 3873599
3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(1H-pyrrol-2-yl)-1,3-thiazolidin-4-one
CID 3679555

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-(2,5-dichlorophenyl)furan-2-yl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one?
The IUPAC name of (2R)-2-[5-(2,5-dichlorophenyl)furan-2-yl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one (CID 34360039) is (2R)-2-[5-(2,5-dichlorophenyl)furan-2-yl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2R)-2-[5-(2,5-dichlorophenyl)furan-2-yl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2R)-2-[5-(2,5-dichlorophenyl)furan-2-yl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one is COc1ccc(CCN2C(=O)CS[C@@H]2c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1OC.
What is the InChIKey of (2R)-2-[5-(2,5-dichlorophenyl)furan-2-yl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one?
The InChIKey is XSBSHKSPVPDVRF-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H21Cl2NO4S/c1-28-19-6-3-14(11-21(19)29-2)9-10-26-22(27)13-31-23(26)20-8-7-18(30-20)16-12-15(24)4-5-17(16)25/h3-8,11-12,23H,9-10,13H2,1-2H3/t23-/m1/s1.
What are the key properties of (2R)-2-[5-(2,5-dichlorophenyl)furan-2-yl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one?
(2R)-2-[5-(2,5-dichlorophenyl)furan-2-yl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one has a molecular weight of 478.40 g/mol, XLogP of 6.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[5-(2,5-dichlorophenyl)furan-2-yl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 34360039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).