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

C20H23FN2O3S — CID 42745146

IUPAC3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)C(C)NC(=O)C1CSC(c2ccoc2)N1C(=O)c1ccc(F)cc1
InChIInChI=1S/C20H23FN2O3S/c1-12(2)13(3)22-18(24)17-11-27-20(15-8-9-26-10-15)23(17)19(25)14-4-6-16(21)7-5-14/h4-10,12-13,17,20H,11H2,1-3H3,(H,22,24)
InChIKeyUYUWHSIOYQCOFO-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.84
Rot. Bonds5

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

3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42745146) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is 3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
PubChem CID42745146
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC Name3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)C(C)NC(=O)C1CSC(c2ccoc2)N1C(=O)c1ccc(F)cc1
InChIInChI=1S/C20H23FN2O3S/c1-12(2)13(3)22-18(24)17-11-27-20(15-8-9-26-10-15)23(17)19(25)14-4-6-16(21)7-5-14/h4-10,12-13,17,20H,11H2,1-3H3,(H,22,24)
InChIKeyUYUWHSIOYQCOFO-UHFFFAOYSA-N
XLogP3.84
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 3939901
3-acetyl-2-(furan-3-yl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 42744974
(2R,4S)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid
CID 809627
(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
(2R,4R)-3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 1195498
(2R,4R)-3-benzoyl-2-(3-fluorophenyl)-N-[(2R)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 7362198
(2R,4S)-3-benzoyl-2-(3-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 1062714
3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42745136
N-(1-benzylpiperidin-4-yl)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
CID 42745135
3-benzoyl-2-(furan-3-yl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42745107
N-(2-fluorophenyl)-2-(furan-3-yl)-3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42745167

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide (CID 42745146) is 3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide is CC(C)C(C)NC(=O)C1CSC(c2ccoc2)N1C(=O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is UYUWHSIOYQCOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c1-12(2)13(3)22-18(24)17-11-27-20(15-8-9-26-10-15)23(17)19(25)14-4-6-16(21)7-5-14/h4-10,12-13,17,20H,11H2,1-3H3,(H,22,24).
What are the key properties of 3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide?
3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42745146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).