N-(3,4-difluorophenyl)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide

C23H20F2N2O2S — CID 4047301

IUPACN-(3,4-difluorophenyl)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)N1CCSC1c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C23H20F2N2O2S/c24-20-10-9-18(14-21(20)25)26-23(28)27-11-12-30-22(27)17-7-4-8-19(13-17)29-15-16-5-2-1-3-6-16/h1-10,13-14,22H,11-12,15H2,(H,26,28)
InChIKeyKWVBODXFDKBSRU-UHFFFAOYSA-N
MW426.49 g/mol
LogP5.82
Rot. Bonds5

About N-(3,4-difluorophenyl)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide

N-(3,4-difluorophenyl)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 4047301) has the molecular formula C23H20F2N2O2S and a molecular weight of 426.49 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID4047301
Molecular FormulaC23H20F2N2O2S
Molecular Weight426.49 g/mol
Exact Mass426.12
IUPAC NameN-(3,4-difluorophenyl)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)N1CCSC1c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C23H20F2N2O2S/c24-20-10-9-18(14-21(20)25)26-23(28)27-11-12-30-22(27)17-7-4-8-19(13-17)29-15-16-5-2-1-3-6-16/h1-10,13-14,22H,11-12,15H2,(H,26,28)
InChIKeyKWVBODXFDKBSRU-UHFFFAOYSA-N
XLogP5.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.49
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 4170516
1-[(2R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 7262558
(2S)-N-(4-chlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025269
cyclopropyl-[(2S)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 7301681
(2R)-2-(3-phenoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 1025278
N-(3,4-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 4572857
(4-ethylphenyl)-[2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 3402926
N-(3-chloro-4-methylphenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 4080269
2-(3-phenoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 4069010
N-(3-ethylphenyl)-2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 3433728
(2S)-2-(3-chlorophenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 7409403
(2S)-N-(4-cyanophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025382

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide (CID 4047301) is N-(3,4-difluorophenyl)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide is O=C(Nc1ccc(F)c(F)c1)N1CCSC1c1cccc(OCc2ccccc2)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is KWVBODXFDKBSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N2O2S/c24-20-10-9-18(14-21(20)25)26-23(28)27-11-12-30-22(27)17-7-4-8-19(13-17)29-15-16-5-2-1-3-6-16/h1-10,13-14,22H,11-12,15H2,(H,26,28).
What are the key properties of N-(3,4-difluorophenyl)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
N-(3,4-difluorophenyl)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 426.49 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 4047301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).