2-cyclohexyl-3-(3-fluorobenzoyl)-N-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide

C23H24F2N2O2S — CID 3912422

IUPAC2-cyclohexyl-3-(3-fluorobenzoyl)-N-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CSC(C2CCCCC2)N1C(=O)c1cccc(F)c1
InChIInChI=1S/C23H24F2N2O2S/c24-17-9-11-19(12-10-17)26-21(28)20-14-30-23(15-5-2-1-3-6-15)27(20)22(29)16-7-4-8-18(25)13-16/h4,7-13,15,20,23H,1-3,5-6,14H2,(H,26,28)
InChIKeyDBVICVVUIBCCFP-UHFFFAOYSA-N
MW430.52 g/mol
LogP5.07
Rot. Bonds4

About 2-cyclohexyl-3-(3-fluorobenzoyl)-N-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide

2-cyclohexyl-3-(3-fluorobenzoyl)-N-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 3912422) has the molecular formula C23H24F2N2O2S and a molecular weight of 430.52 g/mol. Its IUPAC name is 2-cyclohexyl-3-(3-fluorobenzoyl)-N-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-3-(3-fluorobenzoyl)-N-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID3912422
Molecular FormulaC23H24F2N2O2S
Molecular Weight430.52 g/mol
Exact Mass430.15
IUPAC Name2-cyclohexyl-3-(3-fluorobenzoyl)-N-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CSC(C2CCCCC2)N1C(=O)c1cccc(F)c1
InChIInChI=1S/C23H24F2N2O2S/c24-17-9-11-19(12-10-17)26-21(28)20-14-30-23(15-5-2-1-3-6-15)27(20)22(29)16-7-4-8-18(25)13-16/h4,7-13,15,20,23H,1-3,5-6,14H2,(H,26,28)
InChIKeyDBVICVVUIBCCFP-UHFFFAOYSA-N
XLogP5.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.52
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4S)-2-cyclohexyl-3-(3-fluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 7296665
(2R,4S)-3-benzoyl-2-cyclohexyl-N-[(4-fluorophenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 1198786
methyl 2-cyclohexyl-3-(3-methoxybenzoyl)-1,3-thiazolidine-4-carboxylate
CID 42729759
(2R,4R)-3-benzoyl-2-cyclohexyl-N-[(2R)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 7216276
2-cyclohexyl-N,N-diethyl-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42744121
(2R)-1-(3-fluorobenzoyl)-N-(3-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605341
2-cyclohexyl-3-(4-fluorobenzoyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide
CID 5137356
N-(4-fluorophenyl)-2-phenyl-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 3394328
N-(4-fluorophenyl)-1-(3-methylbenzoyl)pyrrolidine-2-carboxamide
CID 46747298
(2R)-N-(4-fluorophenyl)-1-(3-methylbenzoyl)pyrrolidine-2-carboxamide
CID 92666052
(2S,4S)-3-benzoyl-2-cyclohexyl-N-pentyl-1,3-thiazolidine-4-carboxamide
CID 7355982
3-(4-chlorobenzoyl)-2-cyclohexyl-N-cyclopropyl-1,3-thiazolidine-4-carboxamide
CID 42744142

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-(3-fluorobenzoyl)-N-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 2-cyclohexyl-3-(3-fluorobenzoyl)-N-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide (CID 3912422) is 2-cyclohexyl-3-(3-fluorobenzoyl)-N-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 2-cyclohexyl-3-(3-fluorobenzoyl)-N-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 2-cyclohexyl-3-(3-fluorobenzoyl)-N-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide is O=C(Nc1ccc(F)cc1)C1CSC(C2CCCCC2)N1C(=O)c1cccc(F)c1.
What is the InChIKey of 2-cyclohexyl-3-(3-fluorobenzoyl)-N-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is DBVICVVUIBCCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N2O2S/c24-17-9-11-19(12-10-17)26-21(28)20-14-30-23(15-5-2-1-3-6-15)27(20)22(29)16-7-4-8-18(25)13-16/h4,7-13,15,20,23H,1-3,5-6,14H2,(H,26,28).
What are the key properties of 2-cyclohexyl-3-(3-fluorobenzoyl)-N-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide?
2-cyclohexyl-3-(3-fluorobenzoyl)-N-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 430.52 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-(3-fluorobenzoyl)-N-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 3912422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).