[2-(difluoromethylsulfanyl)phenyl]-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone

C19H19F2NO3S2 — CID 122345707

IUPAC[2-(difluoromethylsulfanyl)phenyl]-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
SMILESCOc1ccc(C2SCCN2C(=O)c2ccccc2SC(F)F)cc1OC
InChIInChI=1S/C19H19F2NO3S2/c1-24-14-8-7-12(11-15(14)25-2)18-22(9-10-26-18)17(23)13-5-3-4-6-16(13)27-19(20)21/h3-8,11,18-19H,9-10H2,1-2H3
InChIKeyKZJXLDVDVZYGEA-UHFFFAOYSA-N
MW411.50 g/mol
LogP4.91
Rot. Bonds6

About [2-(difluoromethylsulfanyl)phenyl]-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone

[2-(difluoromethylsulfanyl)phenyl]-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone (PubChem CID 122345707) has the molecular formula C19H19F2NO3S2 and a molecular weight of 411.50 g/mol. Its IUPAC name is [2-(difluoromethylsulfanyl)phenyl]-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Name[2-(difluoromethylsulfanyl)phenyl]-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
PubChem CID122345707
Molecular FormulaC19H19F2NO3S2
Molecular Weight411.50 g/mol
Exact Mass411.08
IUPAC Name[2-(difluoromethylsulfanyl)phenyl]-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
SMILESCOc1ccc(C2SCCN2C(=O)c2ccccc2SC(F)F)cc1OC
InChIInChI=1S/C19H19F2NO3S2/c1-24-14-8-7-12(11-15(14)25-2)18-22(9-10-26-18)17(23)13-5-3-4-6-16(13)27-19(20)21/h3-8,11,18-19H,9-10H2,1-2H3
InChIKeyKZJXLDVDVZYGEA-UHFFFAOYSA-N
XLogP4.91
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
CID 36687936
[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(3-iodophenyl)methanone
CID 122345806
[4-(3-benzoyl-1,3-thiazolidin-2-yl)-2-methoxyphenyl] benzoate
CID 10409832
[2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidin-3-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 122329915
[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(5-fluoro-3-pyridinyl)methanone
CID 122345781
1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenoxypropan-1-one
CID 122345651
[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(2-phenyltriazol-4-yl)methanone
CID 122345690
(2,4-dimethoxyphenyl)-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 42781070
[2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(2,3,4-trifluorophenyl)methanone
CID 122329922
(4-fluorophenyl)-[(2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 93115004
[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 122345756
N-(3,5-difluorophenyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 122345663

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethylsulfanyl)phenyl]-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of [2-(difluoromethylsulfanyl)phenyl]-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone (CID 122345707) is [2-(difluoromethylsulfanyl)phenyl]-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for [2-(difluoromethylsulfanyl)phenyl]-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for [2-(difluoromethylsulfanyl)phenyl]-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone is COc1ccc(C2SCCN2C(=O)c2ccccc2SC(F)F)cc1OC.
What is the InChIKey of [2-(difluoromethylsulfanyl)phenyl]-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
The InChIKey is KZJXLDVDVZYGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO3S2/c1-24-14-8-7-12(11-15(14)25-2)18-22(9-10-26-18)17(23)13-5-3-4-6-16(13)27-19(20)21/h3-8,11,18-19H,9-10H2,1-2H3.
What are the key properties of [2-(difluoromethylsulfanyl)phenyl]-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
[2-(difluoromethylsulfanyl)phenyl]-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone has a molecular weight of 411.50 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethylsulfanyl)phenyl]-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 122345707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).