N-(4-fluorophenyl)-2-thiophen-2-yl-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide

C24H23FN2O5S2 — CID 42744214

IUPACN-(4-fluorophenyl)-2-thiophen-2-yl-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
SMILESCOc1cc(C(=O)N2C(C(=O)Nc3ccc(F)cc3)CSC2c2cccs2)cc(OC)c1OC
InChIInChI=1S/C24H23FN2O5S2/c1-30-18-11-14(12-19(31-2)21(18)32-3)23(29)27-17(13-34-24(27)20-5-4-10-33-20)22(28)26-16-8-6-15(25)7-9-16/h4-12,17,24H,13H2,1-3H3,(H,26,28)
InChIKeyGJKHTHCMJHWZKG-UHFFFAOYSA-N
MW502.59 g/mol
LogP4.81
Rot. Bonds7

About N-(4-fluorophenyl)-2-thiophen-2-yl-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide

N-(4-fluorophenyl)-2-thiophen-2-yl-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42744214) has the molecular formula C24H23FN2O5S2 and a molecular weight of 502.59 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-thiophen-2-yl-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-thiophen-2-yl-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42744214
Molecular FormulaC24H23FN2O5S2
Molecular Weight502.59 g/mol
Exact Mass502.10
IUPAC NameN-(4-fluorophenyl)-2-thiophen-2-yl-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
SMILESCOc1cc(C(=O)N2C(C(=O)Nc3ccc(F)cc3)CSC2c2cccs2)cc(OC)c1OC
InChIInChI=1S/C24H23FN2O5S2/c1-30-18-11-14(12-19(31-2)21(18)32-3)23(29)27-17(13-34-24(27)20-5-4-10-33-20)22(28)26-16-8-6-15(25)7-9-16/h4-12,17,24H,13H2,1-3H3,(H,26,28)
InChIKeyGJKHTHCMJHWZKG-UHFFFAOYSA-N
XLogP4.81
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.59
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3,4-dimethoxybenzoyl)-N-(4-fluorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide
CID 4040179
N-(4-fluorophenyl)-2-phenyl-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 3394328
N-butyl-2-thiophen-2-yl-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42744205
2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 5226971
N-benzhydryl-3-(3,4-dimethoxybenzoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide
CID 3565672
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 4530085
2-(4-tert-butylphenyl)-N-(2-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 3988039
(4-thiophen-2-ylpiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 90522152
N-benzyl-2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42748764
N-benzhydryl-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42749369
3-(4-methoxybenzoyl)-N-(4-methylphenyl)-2-phenyl-1,3-thiazolidine-4-carboxamide
CID 4005541
(2R,4R)-3-(4-chlorobenzoyl)-N-propyl-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide
CID 7225664

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-thiophen-2-yl-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-thiophen-2-yl-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide (CID 42744214) is N-(4-fluorophenyl)-2-thiophen-2-yl-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-thiophen-2-yl-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-thiophen-2-yl-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide is COc1cc(C(=O)N2C(C(=O)Nc3ccc(F)cc3)CSC2c2cccs2)cc(OC)c1OC.
What is the InChIKey of N-(4-fluorophenyl)-2-thiophen-2-yl-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is GJKHTHCMJHWZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O5S2/c1-30-18-11-14(12-19(31-2)21(18)32-3)23(29)27-17(13-34-24(27)20-5-4-10-33-20)22(28)26-16-8-6-15(25)7-9-16/h4-12,17,24H,13H2,1-3H3,(H,26,28).
What are the key properties of N-(4-fluorophenyl)-2-thiophen-2-yl-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide?
N-(4-fluorophenyl)-2-thiophen-2-yl-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 502.59 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-thiophen-2-yl-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42744214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).