3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide

C21H24FN3O3S — CID 42745136

IUPAC3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCCN1CCCC1)C1CSC(c2ccoc2)N1C(=O)c1ccc(F)cc1
InChIInChI=1S/C21H24FN3O3S/c22-17-5-3-15(4-6-17)20(27)25-18(14-29-21(25)16-7-12-28-13-16)19(26)23-8-11-24-9-1-2-10-24/h3-7,12-13,18,21H,1-2,8-11,14H2,(H,23,26)
InChIKeyTUWWERAHJUENFY-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.89
Rot. Bonds6

About 3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide

3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42745136) has the molecular formula C21H24FN3O3S and a molecular weight of 417.51 g/mol. Its IUPAC name is 3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42745136
Molecular FormulaC21H24FN3O3S
Molecular Weight417.51 g/mol
Exact Mass417.15
IUPAC Name3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCCN1CCCC1)C1CSC(c2ccoc2)N1C(=O)c1ccc(F)cc1
InChIInChI=1S/C21H24FN3O3S/c22-17-5-3-15(4-6-17)20(27)25-18(14-29-21(25)16-7-12-28-13-16)19(26)23-8-11-24-9-1-2-10-24/h3-7,12-13,18,21H,1-2,8-11,14H2,(H,23,26)
InChIKeyTUWWERAHJUENFY-UHFFFAOYSA-N
XLogP2.89
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-3-(4-methylbenzoyl)-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 3997234
3-acetyl-2-(furan-3-yl)-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42744965
(2S,4R)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-hexyl-1,3-thiazolidine-4-carboxamide
CID 7419346
3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(3-methoxypropyl)-1,3-thiazolidine-4-carboxamide
CID 42745149
3-(4-chlorobenzoyl)-2-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 4542964
(2R,4S)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid
CID 809627
3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 42745146
2-(furan-3-yl)-N-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 42745041
N-(1-benzylpiperidin-4-yl)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
CID 42745135
2-(furan-3-yl)-N-(2-methoxyethyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42745217
2-(3-fluorophenyl)-3-(4-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42748313
2-cyclohexyl-3-(4-fluorobenzoyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide
CID 5137356

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide (CID 42745136) is 3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide is O=C(NCCN1CCCC1)C1CSC(c2ccoc2)N1C(=O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is TUWWERAHJUENFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3S/c22-17-5-3-15(4-6-17)20(27)25-18(14-29-21(25)16-7-12-28-13-16)19(26)23-8-11-24-9-1-2-10-24/h3-7,12-13,18,21H,1-2,8-11,14H2,(H,23,26).
What are the key properties of 3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide?
3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42745136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).