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

C19H21FN2O4S — CID 42745149

IUPAC3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(3-methoxypropyl)-1,3-thiazolidine-4-carboxamide
SMILESCOCCCNC(=O)C1CSC(c2ccoc2)N1C(=O)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O4S/c1-25-9-2-8-21-17(23)16-12-27-19(14-7-10-26-11-14)22(16)18(24)13-3-5-15(20)6-4-13/h3-7,10-11,16,19H,2,8-9,12H2,1H3,(H,21,23)
InChIKeyZWWDXXMOLGLCHG-UHFFFAOYSA-N
MW392.45 g/mol
LogP2.83
Rot. Bonds7

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

3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(3-methoxypropyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42745149) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is 3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(3-methoxypropyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(3-methoxypropyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42745149
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC Name3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(3-methoxypropyl)-1,3-thiazolidine-4-carboxamide
SMILESCOCCCNC(=O)C1CSC(c2ccoc2)N1C(=O)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O4S/c1-25-9-2-8-21-17(23)16-12-27-19(14-7-10-26-11-14)22(16)18(24)13-3-5-15(20)6-4-13/h3-7,10-11,16,19H,2,8-9,12H2,1H3,(H,21,23)
InChIKeyZWWDXXMOLGLCHG-UHFFFAOYSA-N
XLogP2.83
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 52.83
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

(2S,4R)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-hexyl-1,3-thiazolidine-4-carboxamide
CID 7419346
2-(furan-3-yl)-N-(2-methoxyethyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42745217
3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42745136
3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 42745146
(2R,4S)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid
CID 809627
(2S,4R)-2-(4-fluorophenyl)-N-hexyl-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 7288637
3-benzoyl-2-(furan-3-yl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42745107
3-(4-chlorobenzoyl)-2-cyclohexyl-N-(3-methoxypropyl)-1,3-thiazolidine-4-carboxamide
CID 42744147
N-(2-fluorophenyl)-2-(furan-3-yl)-3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42745167
3-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
CID 42745200
N-(1-benzylpiperidin-4-yl)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
CID 42745135
(2R,4R)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-N-hexyl-1,3-thiazolidine-4-carboxamide
CID 7356695

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(3-methoxypropyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(3-methoxypropyl)-1,3-thiazolidine-4-carboxamide (CID 42745149) is 3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(3-methoxypropyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(3-methoxypropyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(3-methoxypropyl)-1,3-thiazolidine-4-carboxamide is COCCCNC(=O)C1CSC(c2ccoc2)N1C(=O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(3-methoxypropyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is ZWWDXXMOLGLCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c1-25-9-2-8-21-17(23)16-12-27-19(14-7-10-26-11-14)22(16)18(24)13-3-5-15(20)6-4-13/h3-7,10-11,16,19H,2,8-9,12H2,1H3,(H,21,23).
What are the key properties of 3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(3-methoxypropyl)-1,3-thiazolidine-4-carboxamide?
3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(3-methoxypropyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 392.45 g/mol, XLogP of 2.83, 7 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-(3-methoxypropyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42745149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).