N-(2-fluorophenyl)-2-(furan-3-yl)-3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carboxamide

C22H19FN2O4S — CID 42745167

IUPACN-(2-fluorophenyl)-2-(furan-3-yl)-3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2C(C(=O)Nc3ccccc3F)CSC2c2ccoc2)cc1
InChIInChI=1S/C22H19FN2O4S/c1-28-16-8-6-14(7-9-16)21(27)25-19(13-30-22(25)15-10-11-29-12-15)20(26)24-18-5-3-2-4-17(18)23/h2-12,19,22H,13H2,1H3,(H,24,26)
InChIKeyVLMVWHNASYYEDR-UHFFFAOYSA-N
MW426.47 g/mol
LogP4.32
Rot. Bonds5

About N-(2-fluorophenyl)-2-(furan-3-yl)-3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carboxamide

N-(2-fluorophenyl)-2-(furan-3-yl)-3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42745167) has the molecular formula C22H19FN2O4S and a molecular weight of 426.47 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(furan-3-yl)-3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(furan-3-yl)-3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42745167
Molecular FormulaC22H19FN2O4S
Molecular Weight426.47 g/mol
Exact Mass426.10
IUPAC NameN-(2-fluorophenyl)-2-(furan-3-yl)-3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2C(C(=O)Nc3ccccc3F)CSC2c2ccoc2)cc1
InChIInChI=1S/C22H19FN2O4S/c1-28-16-8-6-14(7-9-16)21(27)25-19(13-30-22(25)15-10-11-29-12-15)20(26)24-18-5-3-2-4-17(18)23/h2-12,19,22H,13H2,1H3,(H,24,26)
InChIKeyVLMVWHNASYYEDR-UHFFFAOYSA-N
XLogP4.32
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluorophenyl)-2-(furan-3-yl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
CID 42744943
N-(2-fluorophenyl)-3-(4-methoxybenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748206
3-(4-methoxybenzoyl)-N-(4-methylphenyl)-2-phenyl-1,3-thiazolidine-4-carboxamide
CID 4005541
2-(4-tert-butylphenyl)-N-(2-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 3988039
3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(3-methoxypropyl)-1,3-thiazolidine-4-carboxamide
CID 42745149
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
3-(4-methoxybenzoyl)-2-phenyl-N-propyl-1,3-thiazolidine-4-carboxamide
CID 42744343
3-benzoyl-2-(furan-3-yl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42745107
2-(furan-3-yl)-N-(2-methoxyethyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42745217
N-benzhydryl-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42749369
3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42745136

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(furan-3-yl)-3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-2-(furan-3-yl)-3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carboxamide (CID 42745167) is N-(2-fluorophenyl)-2-(furan-3-yl)-3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(furan-3-yl)-3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(furan-3-yl)-3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carboxamide is COc1ccc(C(=O)N2C(C(=O)Nc3ccccc3F)CSC2c2ccoc2)cc1.
What is the InChIKey of N-(2-fluorophenyl)-2-(furan-3-yl)-3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is VLMVWHNASYYEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O4S/c1-28-16-8-6-14(7-9-16)21(27)25-19(13-30-22(25)15-10-11-29-12-15)20(26)24-18-5-3-2-4-17(18)23/h2-12,19,22H,13H2,1H3,(H,24,26).
What are the key properties of N-(2-fluorophenyl)-2-(furan-3-yl)-3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carboxamide?
N-(2-fluorophenyl)-2-(furan-3-yl)-3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 426.47 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(furan-3-yl)-3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42745167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).