(2,4-dimethoxyphenyl)-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone

C18H18FNO3S — CID 7482577

IUPAC(2,4-dimethoxyphenyl)-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone
SMILESCOc1ccc(C(=O)N2CCS[C@@H]2c2ccccc2F)c(OC)c1
InChIInChI=1S/C18H18FNO3S/c1-22-12-7-8-14(16(11-12)23-2)17(21)20-9-10-24-18(20)13-5-3-4-6-15(13)19/h3-8,11,18H,9-10H2,1-2H3/t18-/m1/s1
InChIKeyZZVPNAOHDKOTQP-GOSISDBHSA-N
MW347.41 g/mol
LogP3.73
Rot. Bonds4

About (2,4-dimethoxyphenyl)-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone

(2,4-dimethoxyphenyl)-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone (PubChem CID 7482577) has the molecular formula C18H18FNO3S and a molecular weight of 347.41 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone
PubChem CID7482577
Molecular FormulaC18H18FNO3S
Molecular Weight347.41 g/mol
Exact Mass347.10
IUPAC Name(2,4-dimethoxyphenyl)-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone
SMILESCOc1ccc(C(=O)N2CCS[C@@H]2c2ccccc2F)c(OC)c1
InChIInChI=1S/C18H18FNO3S/c1-22-12-7-8-14(16(11-12)23-2)17(21)20-9-10-24-18(20)13-5-3-4-6-15(13)19/h3-8,11,18H,9-10H2,1-2H3/t18-/m1/s1
InChIKeyZZVPNAOHDKOTQP-GOSISDBHSA-N
XLogP3.73
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methoxyphenyl)methanone
CID 7289014
(3,5-dimethoxyphenyl)-[2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone
CID 5068001
[2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-(2-methoxyphenyl)methanone
CID 4246927
[(2R)-2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-(2-methoxyphenyl)methanone
CID 7418809
(2S)-N-(3,5-dimethoxyphenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7349968
(2,4-dimethoxyphenyl)-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 42781070
(3-fluorophenyl)-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone
CID 93114948
[(2R)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone
CID 7288628
(3,5-dichlorophenyl)-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 7256737
[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-(2,3,4-trifluorophenyl)methanone
CID 122330126
1-[2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone
CID 4567893
[2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-(3,5-dimethoxyphenyl)methanone
CID 3444279

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of (2,4-dimethoxyphenyl)-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone (CID 7482577) is (2,4-dimethoxyphenyl)-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for (2,4-dimethoxyphenyl)-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for (2,4-dimethoxyphenyl)-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone is COc1ccc(C(=O)N2CCS[C@@H]2c2ccccc2F)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone?
The InChIKey is ZZVPNAOHDKOTQP-GOSISDBHSA-N. The full InChI is InChI=1S/C18H18FNO3S/c1-22-12-7-8-14(16(11-12)23-2)17(21)20-9-10-24-18(20)13-5-3-4-6-15(13)19/h3-8,11,18H,9-10H2,1-2H3/t18-/m1/s1.
What are the key properties of (2,4-dimethoxyphenyl)-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone?
(2,4-dimethoxyphenyl)-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone has a molecular weight of 347.41 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 7482577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).