3-(2-fluorobenzoyl)-2-phenyl-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide

C25H23FN2O2S — CID 42744425

IUPAC3-(2-fluorobenzoyl)-2-phenyl-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(NC(=O)C1CSC(c2ccccc2)N1C(=O)c1ccccc1F)c1ccccc1
InChIInChI=1S/C25H23FN2O2S/c1-17(18-10-4-2-5-11-18)27-23(29)22-16-31-25(19-12-6-3-7-13-19)28(22)24(30)20-14-8-9-15-21(20)26/h2-15,17,22,25H,16H2,1H3,(H,27,29)
InChIKeyHCJONYNXQLWLRY-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.96
Rot. Bonds5

About 3-(2-fluorobenzoyl)-2-phenyl-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide

3-(2-fluorobenzoyl)-2-phenyl-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42744425) has the molecular formula C25H23FN2O2S and a molecular weight of 434.54 g/mol. Its IUPAC name is 3-(2-fluorobenzoyl)-2-phenyl-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(2-fluorobenzoyl)-2-phenyl-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42744425
Molecular FormulaC25H23FN2O2S
Molecular Weight434.54 g/mol
Exact Mass434.15
IUPAC Name3-(2-fluorobenzoyl)-2-phenyl-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(NC(=O)C1CSC(c2ccccc2)N1C(=O)c1ccccc1F)c1ccccc1
InChIInChI=1S/C25H23FN2O2S/c1-17(18-10-4-2-5-11-18)27-23(29)22-16-31-25(19-12-6-3-7-13-19)28(22)24(30)20-14-8-9-15-21(20)26/h2-15,17,22,25H,16H2,1H3,(H,27,29)
InChIKeyHCJONYNXQLWLRY-UHFFFAOYSA-N
XLogP4.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorobenzoyl)-N-(1-phenylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 3986866
tert-butyl (2S,4R)-2-(4-chlorophenyl)-4-[[(1S)-1-phenylethyl]carbamoyl]-1,3-thiazolidine-3-carboxylate
CID 25407730
tert-butyl (2R,4S)-2-(4-chlorophenyl)-4-[[(1S)-1-phenylethyl]carbamoyl]-1,3-thiazolidine-3-carboxylate
CID 41244220
2-(4-tert-butylphenyl)-3-(4-methoxybenzoyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 4534669
2-tert-butyl-3-(2-chlorobenzoyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 42745281
3-(2-methylbenzoyl)-2-(2-methylpropyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 3951099
N-benzhydryl-2-(4-fluorophenyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 4679781
(2S,4S)-3-(2-fluorobenzoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 93033237
(2R,4S)-3-benzoyl-2-(3-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 1062714
(3R,9bS)-5-oxo-N-[(1S)-1-phenylethyl]-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 7740201
(2R,4R)-3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 1195498
2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorobenzoyl)-2-phenyl-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(2-fluorobenzoyl)-2-phenyl-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide (CID 42744425) is 3-(2-fluorobenzoyl)-2-phenyl-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(2-fluorobenzoyl)-2-phenyl-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(2-fluorobenzoyl)-2-phenyl-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide is CC(NC(=O)C1CSC(c2ccccc2)N1C(=O)c1ccccc1F)c1ccccc1.
What is the InChIKey of 3-(2-fluorobenzoyl)-2-phenyl-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is HCJONYNXQLWLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O2S/c1-17(18-10-4-2-5-11-18)27-23(29)22-16-31-25(19-12-6-3-7-13-19)28(22)24(30)20-14-8-9-15-21(20)26/h2-15,17,22,25H,16H2,1H3,(H,27,29).
What are the key properties of 3-(2-fluorobenzoyl)-2-phenyl-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide?
3-(2-fluorobenzoyl)-2-phenyl-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorobenzoyl)-2-phenyl-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42744425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).