3-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide

C22H18ClFN2O3S — CID 42745200

IUPAC3-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CSC(c2ccoc2)N1C(=O)c1ccccc1Cl
InChIInChI=1S/C22H18ClFN2O3S/c23-18-4-2-1-3-17(18)21(28)26-19(13-30-22(26)15-9-10-29-12-15)20(27)25-11-14-5-7-16(24)8-6-14/h1-10,12,19,22H,11,13H2,(H,25,27)
InChIKeyPKDQITNZVKMDBQ-UHFFFAOYSA-N
MW444.92 g/mol
LogP4.64
Rot. Bonds5

About 3-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide

3-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42745200) has the molecular formula C22H18ClFN2O3S and a molecular weight of 444.92 g/mol. Its IUPAC name is 3-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
PubChem CID42745200
Molecular FormulaC22H18ClFN2O3S
Molecular Weight444.92 g/mol
Exact Mass444.07
IUPAC Name3-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CSC(c2ccoc2)N1C(=O)c1ccccc1Cl
InChIInChI=1S/C22H18ClFN2O3S/c23-18-4-2-1-3-17(18)21(28)26-19(13-30-22(26)15-9-10-29-12-15)20(27)25-11-14-5-7-16(24)8-6-14/h1-10,12,19,22H,11,13H2,(H,25,27)
InChIKeyPKDQITNZVKMDBQ-UHFFFAOYSA-N
XLogP4.64
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.92
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-(2-chlorobenzoyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 42748496
(2R,4R)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-N-hexyl-1,3-thiazolidine-4-carboxamide
CID 7356695
3-(2-chlorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid
CID 3627194
(2R,4R)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid
CID 809634
(2S,4S)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid
CID 809630
(2R,4R)-3-(2-chlorobenzoyl)-2-(4-fluorophenyl)-N-propyl-1,3-thiazolidine-4-carboxamide
CID 7215999
3-acetyl-N-benzyl-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
CID 42744957
3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42745136
(2S,4S)-3-(3,5-dimethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-2-phenyl-1,3-thiazolidine-4-carboxamide
CID 93097559
(2S,4R)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-hexyl-1,3-thiazolidine-4-carboxamide
CID 7419346
N-(1-benzylpiperidin-4-yl)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
CID 42745135
2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 4002807

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide (CID 42745200) is 3-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide is O=C(NCc1ccc(F)cc1)C1CSC(c2ccoc2)N1C(=O)c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is PKDQITNZVKMDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2O3S/c23-18-4-2-1-3-17(18)21(28)26-19(13-30-22(26)15-9-10-29-12-15)20(27)25-11-14-5-7-16(24)8-6-14/h1-10,12,19,22H,11,13H2,(H,25,27).
What are the key properties of 3-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide?
3-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 444.92 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42745200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).