3-(4-chlorobenzoyl)-2-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide

C24H27ClFN3O2S — CID 4542964

IUPAC3-(4-chlorobenzoyl)-2-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCCN1CCCCC1)C1CSC(c2cccc(F)c2)N1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H27ClFN3O2S/c25-19-9-7-17(8-10-19)23(31)29-21(16-32-24(29)18-5-4-6-20(26)15-18)22(30)27-11-14-28-12-2-1-3-13-28/h4-10,15,21,24H,1-3,11-14,16H2,(H,27,30)
InChIKeyLULVDGKJBRINSM-UHFFFAOYSA-N
MW476.02 g/mol
LogP4.34
Rot. Bonds6

About 3-(4-chlorobenzoyl)-2-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide

3-(4-chlorobenzoyl)-2-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 4542964) has the molecular formula C24H27ClFN3O2S and a molecular weight of 476.02 g/mol. Its IUPAC name is 3-(4-chlorobenzoyl)-2-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(4-chlorobenzoyl)-2-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID4542964
Molecular FormulaC24H27ClFN3O2S
Molecular Weight476.02 g/mol
Exact Mass475.15
IUPAC Name3-(4-chlorobenzoyl)-2-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCCN1CCCCC1)C1CSC(c2cccc(F)c2)N1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H27ClFN3O2S/c25-19-9-7-17(8-10-19)23(31)29-21(16-32-24(29)18-5-4-6-20(26)15-18)22(30)27-11-14-28-12-2-1-3-13-28/h4-10,15,21,24H,1-3,11-14,16H2,(H,27,30)
InChIKeyLULVDGKJBRINSM-UHFFFAOYSA-N
XLogP4.34
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.02
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenyl)-3-(4-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42748313
3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42745136
2-(4-fluorophenyl)-3-(4-methylbenzoyl)-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 3997234
3-benzoyl-2-(3-fluorophenyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
CID 42748298
(2R,4S)-N-butyl-3-(2-chlorobenzoyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 7288424
N-benzyl-3-(2-chlorobenzoyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 42748496
3-benzoyl-2-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42748301
(2S,4R)-N-butyl-2-(3-fluorophenyl)-3-(3-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 7337817
3-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 3432560
2-(3,4-dimethoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42748773
(2R,4S)-3-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 1062794
(2S,4S)-3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 1195491

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorobenzoyl)-2-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(4-chlorobenzoyl)-2-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide (CID 4542964) is 3-(4-chlorobenzoyl)-2-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(4-chlorobenzoyl)-2-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(4-chlorobenzoyl)-2-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide is O=C(NCCN1CCCCC1)C1CSC(c2cccc(F)c2)N1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorobenzoyl)-2-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is LULVDGKJBRINSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClFN3O2S/c25-19-9-7-17(8-10-19)23(31)29-21(16-32-24(29)18-5-4-6-20(26)15-18)22(30)27-11-14-28-12-2-1-3-13-28/h4-10,15,21,24H,1-3,11-14,16H2,(H,27,30).
What are the key properties of 3-(4-chlorobenzoyl)-2-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide?
3-(4-chlorobenzoyl)-2-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 476.02 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorobenzoyl)-2-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 4542964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).