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

C24H28FN3O3S — CID 42748313

IUPAC2-(3-fluorophenyl)-3-(4-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1ccc(C(=O)N2C(C(=O)NCCN3CCOCC3)CSC2c2cccc(F)c2)cc1
InChIInChI=1S/C24H28FN3O3S/c1-17-5-7-18(8-6-17)23(30)28-21(16-32-24(28)19-3-2-4-20(25)15-19)22(29)26-9-10-27-11-13-31-14-12-27/h2-8,15,21,24H,9-14,16H2,1H3,(H,26,29)
InChIKeyKMIDVCQESFHFGH-UHFFFAOYSA-N
MW457.57 g/mol
LogP2.84
Rot. Bonds6

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

2-(3-fluorophenyl)-3-(4-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42748313) has the molecular formula C24H28FN3O3S and a molecular weight of 457.57 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3-(4-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3-(4-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42748313
Molecular FormulaC24H28FN3O3S
Molecular Weight457.57 g/mol
Exact Mass457.18
IUPAC Name2-(3-fluorophenyl)-3-(4-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1ccc(C(=O)N2C(C(=O)NCCN3CCOCC3)CSC2c2cccc(F)c2)cc1
InChIInChI=1S/C24H28FN3O3S/c1-17-5-7-18(8-6-17)23(30)28-21(16-32-24(28)19-3-2-4-20(25)15-19)22(29)26-9-10-27-11-13-31-14-12-27/h2-8,15,21,24H,9-14,16H2,1H3,(H,26,29)
InChIKeyKMIDVCQESFHFGH-UHFFFAOYSA-N
XLogP2.84
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.57
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorobenzoyl)-2-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 4542964
2-(4-fluorophenyl)-3-(4-methylbenzoyl)-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 3997234
2-(3-fluorophenyl)-3-(2-methylpropanoyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748611
(2S,4R)-N-butyl-2-(3-fluorophenyl)-3-(3-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 7337817
3-benzoyl-2-(3-fluorophenyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
CID 42748298
3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42745136
3-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 3432560
2-cyclohexyl-3-(4-fluorobenzoyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide
CID 5137356
2-(furan-3-yl)-N-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 42745041
(2R,4S)-3-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 1062794
(2R,4S)-N-butyl-3-(2-chlorobenzoyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 7288424
2-(2-chlorophenyl)-3-(2-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42744832

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3-(4-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)-3-(4-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide (CID 42748313) is 2-(3-fluorophenyl)-3-(4-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-3-(4-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-3-(4-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide is Cc1ccc(C(=O)N2C(C(=O)NCCN3CCOCC3)CSC2c2cccc(F)c2)cc1.
What is the InChIKey of 2-(3-fluorophenyl)-3-(4-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is KMIDVCQESFHFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O3S/c1-17-5-7-18(8-6-17)23(30)28-21(16-32-24(28)19-3-2-4-20(25)15-19)22(29)26-9-10-27-11-13-31-14-12-27/h2-8,15,21,24H,9-14,16H2,1H3,(H,26,29).
What are the key properties of 2-(3-fluorophenyl)-3-(4-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide?
2-(3-fluorophenyl)-3-(4-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 457.57 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3-(4-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42748313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).