2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide

C23H21FN2O3S — CID 4002807

IUPAC2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1C(C(=O)NCc2ccco2)CSC1c1ccc(F)cc1
InChIInChI=1S/C23H21FN2O3S/c1-15-5-2-3-7-19(15)22(28)26-20(21(27)25-13-18-6-4-12-29-18)14-30-23(26)16-8-10-17(24)11-9-16/h2-12,20,23H,13-14H2,1H3,(H,25,27)
InChIKeyNJGLZJPROXUQJF-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.30
Rot. Bonds5

About 2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide

2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 4002807) has the molecular formula C23H21FN2O3S and a molecular weight of 424.50 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
PubChem CID4002807
Molecular FormulaC23H21FN2O3S
Molecular Weight424.50 g/mol
Exact Mass424.13
IUPAC Name2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1C(C(=O)NCc2ccco2)CSC1c1ccc(F)cc1
InChIInChI=1S/C23H21FN2O3S/c1-15-5-2-3-7-19(15)22(28)26-20(21(27)25-13-18-6-4-12-29-18)14-30-23(26)16-8-10-17(24)11-9-16/h2-12,20,23H,13-14H2,1H3,(H,25,27)
InChIKeyNJGLZJPROXUQJF-UHFFFAOYSA-N
XLogP4.30
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 5164610
(2R,4R)-3-(2-chlorobenzoyl)-2-(4-fluorophenyl)-N-propyl-1,3-thiazolidine-4-carboxamide
CID 7215999
3-butanoyl-2-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42748568
3-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
CID 42745200
2-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42749106
3-(cyclopropanecarbonyl)-2-(furan-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42744985
2-(4-fluorophenyl)-3-(furan-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 42727747
4-(3-fluorobenzoyl)-N-(furan-2-ylmethyl)-8-(2-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 71956209
(2S,4S)-3-(3,5-dimethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-2-phenyl-1,3-thiazolidine-4-carboxamide
CID 93097559
(3R)-N-(furan-2-ylmethyl)-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 665466
(3R,9bR)-N-(furan-2-ylmethyl)-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 7174917
2-(4-tert-butylphenyl)-3-(4-fluorobenzoyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 3976969

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide (CID 4002807) is 2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide is Cc1ccccc1C(=O)N1C(C(=O)NCc2ccco2)CSC1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is NJGLZJPROXUQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3S/c1-15-5-2-3-7-19(15)22(28)26-20(21(27)25-13-18-6-4-12-29-18)14-30-23(26)16-8-10-17(24)11-9-16/h2-12,20,23H,13-14H2,1H3,(H,25,27).
What are the key properties of 2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide?
2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 4002807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).