N-[3-(difluoromethoxy)phenyl]-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide

C20H22F2N2O5S — CID 122330698

IUPACN-[3-(difluoromethoxy)phenyl]-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCOc1cc(OC)c(C2SCCN2C(=O)Nc2cccc(OC(F)F)c2)cc1OC
InChIInChI=1S/C20H22F2N2O5S/c1-26-15-11-17(28-3)16(27-2)10-14(15)18-24(7-8-30-18)20(25)23-12-5-4-6-13(9-12)29-19(21)22/h4-6,9-11,18-19H,7-8H2,1-3H3,(H,23,25)
InChIKeyPGDVZURAVMUFMC-UHFFFAOYSA-N
MW440.47 g/mol
LogP4.59
Rot. Bonds7

About N-[3-(difluoromethoxy)phenyl]-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide

N-[3-(difluoromethoxy)phenyl]-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 122330698) has the molecular formula C20H22F2N2O5S and a molecular weight of 440.47 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)phenyl]-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)phenyl]-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID122330698
Molecular FormulaC20H22F2N2O5S
Molecular Weight440.47 g/mol
Exact Mass440.12
IUPAC NameN-[3-(difluoromethoxy)phenyl]-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCOc1cc(OC)c(C2SCCN2C(=O)Nc2cccc(OC(F)F)c2)cc1OC
InChIInChI=1S/C20H22F2N2O5S/c1-26-15-11-17(28-3)16(27-2)10-14(15)18-24(7-8-30-18)20(25)23-12-5-4-6-13(9-12)29-19(21)22/h4-6,9-11,18-19H,7-8H2,1-3H3,(H,23,25)
InChIKeyPGDVZURAVMUFMC-UHFFFAOYSA-N
XLogP4.59
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.47
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-fluorophenyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 122330644
N-(4-ethylphenyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 122330645
2-(2,5-dimethoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 3309757
2-(4-fluorophenyl)-N-(3-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 4572724
2-(3-bromo-4-methoxyphenyl)-N-(3-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 45153968
(2R)-2-(2,4-dimethoxyphenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
CID 7225995
(2R)-N,2-bis(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 7362006
N-(3-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 4088572
(2S)-N-(3,5-dimethoxyphenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7349968
(2R)-N-(2,6-dichlorophenyl)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 7415606
(2R)-2-(3,5-dimethoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 816356
(2S)-N-(2,3-dichlorophenyl)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 7328188

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)phenyl]-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of N-[3-(difluoromethoxy)phenyl]-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide (CID 122330698) is N-[3-(difluoromethoxy)phenyl]-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for N-[3-(difluoromethoxy)phenyl]-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for N-[3-(difluoromethoxy)phenyl]-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide is COc1cc(OC)c(C2SCCN2C(=O)Nc2cccc(OC(F)F)c2)cc1OC.
What is the InChIKey of N-[3-(difluoromethoxy)phenyl]-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is PGDVZURAVMUFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O5S/c1-26-15-11-17(28-3)16(27-2)10-14(15)18-24(7-8-30-18)20(25)23-12-5-4-6-13(9-12)29-19(21)22/h4-6,9-11,18-19H,7-8H2,1-3H3,(H,23,25).
What are the key properties of N-[3-(difluoromethoxy)phenyl]-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
N-[3-(difluoromethoxy)phenyl]-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 440.47 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)phenyl]-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 122330698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).