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

C21H29FN2O2S — CID 42744121

IUPAC2-cyclohexyl-N,N-diethyl-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CSC(C2CCCCC2)N1C(=O)c1ccc(F)cc1
InChIInChI=1S/C21H29FN2O2S/c1-3-23(4-2)20(26)18-14-27-21(16-8-6-5-7-9-16)24(18)19(25)15-10-12-17(22)13-11-15/h10-13,16,18,21H,3-9,14H2,1-2H3
InChIKeyHYTRQBKUBZRNJT-UHFFFAOYSA-N
MW392.54 g/mol
LogP4.16
Rot. Bonds5

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

2-cyclohexyl-N,N-diethyl-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42744121) has the molecular formula C21H29FN2O2S and a molecular weight of 392.54 g/mol. Its IUPAC name is 2-cyclohexyl-N,N-diethyl-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-N,N-diethyl-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42744121
Molecular FormulaC21H29FN2O2S
Molecular Weight392.54 g/mol
Exact Mass392.19
IUPAC Name2-cyclohexyl-N,N-diethyl-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CSC(C2CCCCC2)N1C(=O)c1ccc(F)cc1
InChIInChI=1S/C21H29FN2O2S/c1-3-23(4-2)20(26)18-14-27-21(16-8-6-5-7-9-16)24(18)19(25)15-10-12-17(22)13-11-15/h10-13,16,18,21H,3-9,14H2,1-2H3
InChIKeyHYTRQBKUBZRNJT-UHFFFAOYSA-N
XLogP4.16
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4S)-3-benzoyl-2-cyclohexyl-N-[(4-fluorophenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 1198786
3-(4-chlorobenzoyl)-N,N,2-triethyl-1,3-thiazolidine-4-carboxamide
CID 3281226
2-cyclohexyl-3-(4-fluorobenzoyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide
CID 5137356
(2S)-N,N-diethyl-1-(4-fluorobenzoyl)-5-oxopyrrolidine-2-carboxamide
CID 21149631
(2R,4S)-2-cyclohexyl-3-(3-fluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 7296665
2-cyclohexyl-3-(4-methylbenzoyl)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 3334688
butyl 3-(4-chlorobenzoyl)-2-cyclohexyl-1,3-thiazolidine-4-carboxylate
CID 42729805
2-cyclohexyl-3-(3-fluorobenzoyl)-N-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 3912422
(2S,4S)-3-benzoyl-2-cyclohexyl-N-pentyl-1,3-thiazolidine-4-carboxamide
CID 7355982
2-cyclohexyl-3-(4-methylbenzoyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
CID 42744153
3-(4-chlorobenzoyl)-2-cyclohexyl-N-cyclopropyl-1,3-thiazolidine-4-carboxamide
CID 42744142
2-cyclopropyl-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63781272

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N,N-diethyl-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 2-cyclohexyl-N,N-diethyl-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxamide (CID 42744121) is 2-cyclohexyl-N,N-diethyl-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 2-cyclohexyl-N,N-diethyl-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 2-cyclohexyl-N,N-diethyl-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxamide is CCN(CC)C(=O)C1CSC(C2CCCCC2)N1C(=O)c1ccc(F)cc1.
What is the InChIKey of 2-cyclohexyl-N,N-diethyl-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is HYTRQBKUBZRNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O2S/c1-3-23(4-2)20(26)18-14-27-21(16-8-6-5-7-9-16)24(18)19(25)15-10-12-17(22)13-11-15/h10-13,16,18,21H,3-9,14H2,1-2H3.
What are the key properties of 2-cyclohexyl-N,N-diethyl-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxamide?
2-cyclohexyl-N,N-diethyl-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 392.54 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N,N-diethyl-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42744121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).