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

C24H34FN3O3S — CID 5137356

IUPAC2-cyclohexyl-3-(4-fluorobenzoyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCCCN1CCOCC1)C1CSC(C2CCCCC2)N1C(=O)c1ccc(F)cc1
InChIInChI=1S/C24H34FN3O3S/c25-20-9-7-18(8-10-20)23(30)28-21(17-32-24(28)19-5-2-1-3-6-19)22(29)26-11-4-12-27-13-15-31-16-14-27/h7-10,19,21,24H,1-6,11-17H2,(H,26,29)
InChIKeyQPIXGZAUOFKUIX-UHFFFAOYSA-N
MW463.62 g/mol
LogP3.13
Rot. Bonds7

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

2-cyclohexyl-3-(4-fluorobenzoyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 5137356) has the molecular formula C24H34FN3O3S and a molecular weight of 463.62 g/mol. Its IUPAC name is 2-cyclohexyl-3-(4-fluorobenzoyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-3-(4-fluorobenzoyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide
PubChem CID5137356
Molecular FormulaC24H34FN3O3S
Molecular Weight463.62 g/mol
Exact Mass463.23
IUPAC Name2-cyclohexyl-3-(4-fluorobenzoyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCCCN1CCOCC1)C1CSC(C2CCCCC2)N1C(=O)c1ccc(F)cc1
InChIInChI=1S/C24H34FN3O3S/c25-20-9-7-18(8-10-20)23(30)28-21(17-32-24(28)19-5-2-1-3-6-19)22(29)26-11-4-12-27-13-15-31-16-14-27/h7-10,19,21,24H,1-6,11-17H2,(H,26,29)
InChIKeyQPIXGZAUOFKUIX-UHFFFAOYSA-N
XLogP3.13
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.62
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorobenzoyl)-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 51304812
(2S,4S)-3-benzoyl-2-cyclohexyl-N-pentyl-1,3-thiazolidine-4-carboxamide
CID 7355982
3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42745136
2-(3-fluorophenyl)-3-(4-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42748313
2-cyclohexyl-N,N-diethyl-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42744121
2-(3-fluorophenyl)-3-(2-methylpropanoyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748611
(3S)-1-[(4-fluorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 38103352
3-(4-chlorobenzoyl)-2-cyclohexyl-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42744137
1-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 110373868
(2S,4R)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-hexyl-1,3-thiazolidine-4-carboxamide
CID 7419346
2-cyclohexyl-3-(4-methylbenzoyl)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 3334688
1-[(4-fluorobenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 8657307

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-(4-fluorobenzoyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 2-cyclohexyl-3-(4-fluorobenzoyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide (CID 5137356) is 2-cyclohexyl-3-(4-fluorobenzoyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 2-cyclohexyl-3-(4-fluorobenzoyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 2-cyclohexyl-3-(4-fluorobenzoyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide is O=C(NCCCN1CCOCC1)C1CSC(C2CCCCC2)N1C(=O)c1ccc(F)cc1.
What is the InChIKey of 2-cyclohexyl-3-(4-fluorobenzoyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is QPIXGZAUOFKUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FN3O3S/c25-20-9-7-18(8-10-20)23(30)28-21(17-32-24(28)19-5-2-1-3-6-19)22(29)26-11-4-12-27-13-15-31-16-14-27/h7-10,19,21,24H,1-6,11-17H2,(H,26,29).
What are the key properties of 2-cyclohexyl-3-(4-fluorobenzoyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide?
2-cyclohexyl-3-(4-fluorobenzoyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 463.62 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-(4-fluorobenzoyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 5137356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).