[2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-(3,5-dimethoxyphenyl)methanone

C18H17F2NO3S — CID 3444279

IUPAC[2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCSC2c2ccc(F)cc2F)c1
InChIInChI=1S/C18H17F2NO3S/c1-23-13-7-11(8-14(10-13)24-2)17(22)21-5-6-25-18(21)15-4-3-12(19)9-16(15)20/h3-4,7-10,18H,5-6H2,1-2H3
InChIKeyHPBCIWDLRVLVER-UHFFFAOYSA-N
MW365.40 g/mol
LogP3.87
Rot. Bonds4

About [2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-(3,5-dimethoxyphenyl)methanone

[2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-(3,5-dimethoxyphenyl)methanone (PubChem CID 3444279) has the molecular formula C18H17F2NO3S and a molecular weight of 365.40 g/mol. Its IUPAC name is [2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-(3,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-(3,5-dimethoxyphenyl)methanone
PubChem CID3444279
Molecular FormulaC18H17F2NO3S
Molecular Weight365.40 g/mol
Exact Mass365.09
IUPAC Name[2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCSC2c2ccc(F)cc2F)c1
InChIInChI=1S/C18H17F2NO3S/c1-23-13-7-11(8-14(10-13)24-2)17(22)21-5-6-25-18(21)15-4-3-12(19)9-16(15)20/h3-4,7-10,18H,5-6H2,1-2H3
InChIKeyHPBCIWDLRVLVER-UHFFFAOYSA-N
XLogP3.87
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(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
1-[(2S)-2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 7418795
[2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(3-fluorophenyl)methanone
CID 4526194
(3-fluorophenyl)-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone
CID 93114948
(2S)-N-(3,5-dimethoxyphenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7349968
[(2R)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone
CID 7288628
(2S)-N-(2,4-difluorophenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025606
(3,5-dichlorophenyl)-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 7256737
(2,6-dimethoxyphenyl)-[2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 42781086
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-3-yl]-(3,5-dimethoxyphenyl)methanone
CID 5236428

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-(3,5-dimethoxyphenyl)methanone?
The IUPAC name of [2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-(3,5-dimethoxyphenyl)methanone (CID 3444279) is [2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-(3,5-dimethoxyphenyl)methanone.
What is the SMILES notation for [2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-(3,5-dimethoxyphenyl)methanone?
The canonical SMILES for [2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-(3,5-dimethoxyphenyl)methanone is COc1cc(OC)cc(C(=O)N2CCSC2c2ccc(F)cc2F)c1.
What is the InChIKey of [2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-(3,5-dimethoxyphenyl)methanone?
The InChIKey is HPBCIWDLRVLVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO3S/c1-23-13-7-11(8-14(10-13)24-2)17(22)21-5-6-25-18(21)15-4-3-12(19)9-16(15)20/h3-4,7-10,18H,5-6H2,1-2H3.
What are the key properties of [2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-(3,5-dimethoxyphenyl)methanone?
[2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-(3,5-dimethoxyphenyl)methanone has a molecular weight of 365.40 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-(3,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 3444279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).