N-(1,2-diphenylethyl)-2-(3-fluorophenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide

C27H27FN2O2S — CID 4272649

IUPACN-(1,2-diphenylethyl)-2-(3-fluorophenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
SMILESCCC(=O)N1C(C(=O)NC(Cc2ccccc2)c2ccccc2)CSC1c1cccc(F)c1
InChIInChI=1S/C27H27FN2O2S/c1-2-25(31)30-24(18-33-27(30)21-14-9-15-22(28)17-21)26(32)29-23(20-12-7-4-8-13-20)16-19-10-5-3-6-11-19/h3-15,17,23-24,27H,2,16,18H2,1H3,(H,29,32)
InChIKeyWPARLLSXSDLFRX-UHFFFAOYSA-N
MW462.59 g/mol
LogP5.28
Rot. Bonds7

About N-(1,2-diphenylethyl)-2-(3-fluorophenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide

N-(1,2-diphenylethyl)-2-(3-fluorophenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide (PubChem CID 4272649) has the molecular formula C27H27FN2O2S and a molecular weight of 462.59 g/mol. Its IUPAC name is N-(1,2-diphenylethyl)-2-(3-fluorophenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,2-diphenylethyl)-2-(3-fluorophenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
PubChem CID4272649
Molecular FormulaC27H27FN2O2S
Molecular Weight462.59 g/mol
Exact Mass462.18
IUPAC NameN-(1,2-diphenylethyl)-2-(3-fluorophenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
SMILESCCC(=O)N1C(C(=O)NC(Cc2ccccc2)c2ccccc2)CSC1c1cccc(F)c1
InChIInChI=1S/C27H27FN2O2S/c1-2-25(31)30-24(18-33-27(30)21-14-9-15-22(28)17-21)26(32)29-23(20-12-7-4-8-13-20)16-19-10-5-3-6-11-19/h3-15,17,23-24,27H,2,16,18H2,1H3,(H,29,32)
InChIKeyWPARLLSXSDLFRX-UHFFFAOYSA-N
XLogP5.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.59
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-diphenylethyl)-2-(3-fluorophenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(1,2-diphenylethyl)-2-(3-fluorophenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide (CID 4272649) is N-(1,2-diphenylethyl)-2-(3-fluorophenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(1,2-diphenylethyl)-2-(3-fluorophenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(1,2-diphenylethyl)-2-(3-fluorophenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide is CCC(=O)N1C(C(=O)NC(Cc2ccccc2)c2ccccc2)CSC1c1cccc(F)c1.
What is the InChIKey of N-(1,2-diphenylethyl)-2-(3-fluorophenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is WPARLLSXSDLFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN2O2S/c1-2-25(31)30-24(18-33-27(30)21-14-9-15-22(28)17-21)26(32)29-23(20-12-7-4-8-13-20)16-19-10-5-3-6-11-19/h3-15,17,23-24,27H,2,16,18H2,1H3,(H,29,32).
What are the key properties of N-(1,2-diphenylethyl)-2-(3-fluorophenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide?
N-(1,2-diphenylethyl)-2-(3-fluorophenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 462.59 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diphenylethyl)-2-(3-fluorophenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 4272649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).