2-[5-(4-ethoxycarbonylphenyl)furan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

C19H21NO5S — CID 53270579

IUPAC2-[5-(4-ethoxycarbonylphenyl)furan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCOC(=O)c1ccc(-c2ccc(C3NC(C(=O)O)C(C)(C)S3)o2)cc1
InChIInChI=1S/C19H21NO5S/c1-4-24-18(23)12-7-5-11(6-8-12)13-9-10-14(25-13)16-20-15(17(21)22)19(2,3)26-16/h5-10,15-16,20H,4H2,1-3H3,(H,21,22)
InChIKeyLWJXRROOOPEFKR-UHFFFAOYSA-N
MW375.45 g/mol
LogP3.69
Rot. Bonds5

About 2-[5-(4-ethoxycarbonylphenyl)furan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

2-[5-(4-ethoxycarbonylphenyl)furan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 53270579) has the molecular formula C19H21NO5S and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-[5-(4-ethoxycarbonylphenyl)furan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-(4-ethoxycarbonylphenyl)furan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID53270579
Molecular FormulaC19H21NO5S
Molecular Weight375.45 g/mol
Exact Mass375.11
IUPAC Name2-[5-(4-ethoxycarbonylphenyl)furan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCOC(=O)c1ccc(-c2ccc(C3NC(C(=O)O)C(C)(C)S3)o2)cc1
InChIInChI=1S/C19H21NO5S/c1-4-24-18(23)12-7-5-11(6-8-12)13-9-10-14(25-13)16-20-15(17(21)22)19(2,3)26-16/h5-10,15-16,20H,4H2,1-3H3,(H,21,22)
InChIKeyLWJXRROOOPEFKR-UHFFFAOYSA-N
XLogP3.69
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5,5-dimethyl-2-[5-(3-propoxycarbonylphenyl)furan-2-yl]-1,3-thiazolidine-4-carboxylic acid
CID 53270607
ethyl (4S)-4-[5-(4-ethoxycarbonylphenyl)furan-2-yl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 8651673
2-[5-(4-propoxycarbonylphenyl)furan-2-yl]-1,3-thiazolidine-4-carboxylic acid
CID 53270578
(4S)-5,5-dimethyl-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 11837459
2-[5-(2,3-dichlorophenyl)furan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
CID 53270491
ethyl 4-(5-sulfanylfuran-2-yl)benzoate
CID 139299977
diethyl 2,6-dimethyl-4-(5-phenylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 988228
ethyl 4-(5-carbonochloridoylfuran-2-yl)benzoate
CID 3131522
ethyl 4-[5-[(E)-hydroxyiminomethyl]furan-2-yl]benzoate
CID 5343083
ethyl 4-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoate
CID 6283210
ethyl 4-[5-[(cyclopropylamino)methyl]furan-2-yl]benzoate
CID 4722679
cyclopropyl-[[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl]azanium
CID 8617769

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-ethoxycarbonylphenyl)furan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-[5-(4-ethoxycarbonylphenyl)furan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid (CID 53270579) is 2-[5-(4-ethoxycarbonylphenyl)furan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-[5-(4-ethoxycarbonylphenyl)furan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-[5-(4-ethoxycarbonylphenyl)furan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid is CCOC(=O)c1ccc(-c2ccc(C3NC(C(=O)O)C(C)(C)S3)o2)cc1.
What is the InChIKey of 2-[5-(4-ethoxycarbonylphenyl)furan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is LWJXRROOOPEFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5S/c1-4-24-18(23)12-7-5-11(6-8-12)13-9-10-14(25-13)16-20-15(17(21)22)19(2,3)26-16/h5-10,15-16,20H,4H2,1-3H3,(H,21,22).
What are the key properties of 2-[5-(4-ethoxycarbonylphenyl)furan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
2-[5-(4-ethoxycarbonylphenyl)furan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 375.45 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-ethoxycarbonylphenyl)furan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 53270579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).