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

C25H30FN3O2S — CID 3997234

IUPAC2-(4-fluorophenyl)-3-(4-methylbenzoyl)-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1ccc(C(=O)N2C(C(=O)NCCN3CCCCC3)CSC2c2ccc(F)cc2)cc1
InChIInChI=1S/C25H30FN3O2S/c1-18-5-7-19(8-6-18)24(31)29-22(17-32-25(29)20-9-11-21(26)12-10-20)23(30)27-13-16-28-14-3-2-4-15-28/h5-12,22,25H,2-4,13-17H2,1H3,(H,27,30)
InChIKeyXKQHYEUXGTXZEE-UHFFFAOYSA-N
MW455.60 g/mol
LogP3.99
Rot. Bonds6

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

2-(4-fluorophenyl)-3-(4-methylbenzoyl)-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 3997234) has the molecular formula C25H30FN3O2S and a molecular weight of 455.60 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(4-methylbenzoyl)-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(4-methylbenzoyl)-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID3997234
Molecular FormulaC25H30FN3O2S
Molecular Weight455.60 g/mol
Exact Mass455.20
IUPAC Name2-(4-fluorophenyl)-3-(4-methylbenzoyl)-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1ccc(C(=O)N2C(C(=O)NCCN3CCCCC3)CSC2c2ccc(F)cc2)cc1
InChIInChI=1S/C25H30FN3O2S/c1-18-5-7-19(8-6-18)24(31)29-22(17-32-25(29)20-9-11-21(26)12-10-20)23(30)27-13-16-28-14-3-2-4-15-28/h5-12,22,25H,2-4,13-17H2,1H3,(H,27,30)
InChIKeyXKQHYEUXGTXZEE-UHFFFAOYSA-N
XLogP3.99
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42745136
(2S,4R)-2-(4-fluorophenyl)-N-hexyl-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 7288637
2-(3-fluorophenyl)-3-(4-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42748313
3-(4-chlorobenzoyl)-2-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 4542964
N-benzhydryl-2-(4-fluorophenyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 4679781
2-(3,4-dimethoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42748773
(2S,4S)-3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 1195491
3-acetyl-2-(furan-3-yl)-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42744965
3-(4-methylbenzoyl)-N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 42743968
(2R,4R)-3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 1195498
(2R,4R)-3-(2-chlorobenzoyl)-2-(4-fluorophenyl)-N-propyl-1,3-thiazolidine-4-carboxamide
CID 7215999
2-(3,4-dichlorophenyl)-3-(4-methylbenzoyl)-N-pentyl-1,3-thiazolidine-4-carboxamide
CID 42744012

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(4-methylbenzoyl)-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-3-(4-methylbenzoyl)-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide (CID 3997234) is 2-(4-fluorophenyl)-3-(4-methylbenzoyl)-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(4-methylbenzoyl)-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-3-(4-methylbenzoyl)-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide is Cc1ccc(C(=O)N2C(C(=O)NCCN3CCCCC3)CSC2c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(4-methylbenzoyl)-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is XKQHYEUXGTXZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O2S/c1-18-5-7-19(8-6-18)24(31)29-22(17-32-25(29)20-9-11-21(26)12-10-20)23(30)27-13-16-28-14-3-2-4-15-28/h5-12,22,25H,2-4,13-17H2,1H3,(H,27,30).
What are the key properties of 2-(4-fluorophenyl)-3-(4-methylbenzoyl)-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide?
2-(4-fluorophenyl)-3-(4-methylbenzoyl)-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 455.60 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(4-methylbenzoyl)-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 3997234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).